
 PYY, zebrafish

595605  0  0  0  0  0  0  0  0999 V2000
   19.6843    1.0195   12.5711 C   0  0  0  0  0
   20.5618    1.2881   11.3561 C   0  0  0  0  0
   19.7952    1.2783   10.0093 C   0  0  0  0  0
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   20.8129    1.3482    8.8275 C   0  0  0  0  0
   21.4495   -0.0430    8.6094 C   0  0  0  0  0
   22.5976   -0.2399    9.0341 O   0  0  0  0  0
   20.8156   -1.1429    8.1334 N   0  0  0  0  0
   19.6535   -1.3915    7.2580 C   0  0  0  0  0
   18.3077   -0.8514    7.7289 C   0  0  0  0  0
   17.1801   -1.3800    6.8628 C   0  0  0  0  0
   17.3311   -1.9308    5.7783 O   0  0  0  0  0
   15.9341   -1.1661    7.3725 N   0  0  0  0  0
   20.0451   -0.9080    5.8588 C   0  0  0  0  0
   19.8579    0.2681    5.5363 O   0  0  0  0  0
   20.7265   -1.7149    4.9975 N   0  0  0  0  0
   20.9021   -3.1761    4.9941 C   0  0  0  0  0
   21.7535   -3.7400    6.1406 C   0  0  0  0  0
   22.2710   -5.1771    5.8944 C   0  0  0  0  0
   23.3214   -5.2422    4.7845 C   0  0  0  0  0
   22.8602   -5.7450    7.1892 C   0  0  0  0  0
   19.5196   -3.8384    4.8599 C   0  0  0  0  0
   19.0427   -4.6085    5.6881 O   0  0  0  0  0
   18.8576   -3.4889    3.6965 N   0  0  0  0  0
   18.5063   -4.5482    2.7249 C   0  0  0  0  0
   18.9072   -4.0785    1.2905 C   0  0  0  0  0
   20.3703   -3.6241    1.1732 C   0  0  0  0  0
   18.5587   -5.1417    0.2278 C   0  0  0  0  0
   18.7475   -4.6663   -1.2073 C   0  0  0  0  0
   19.1351   -5.9106    3.1158 C   0  0  0  0  0
   20.3527   -6.1072    3.0321 O   0  0  0  0  0
   18.4004   -6.8867    3.7180 N   0  0  0  0  0
   16.9491   -7.0836    3.9152 C   0  0  0  0  0
   16.2310   -6.0315    4.7884 C   0  0  0  0  0
   14.7608   -6.3807    5.0152 C   0  0  0  0  0
   16.8337   -5.9944    6.0904 O   0  0  0  0  0
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   15.7887   -6.3399    1.9301 O   0  0  0  0  0
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   17.9601  -10.0697    3.0951 C   0  0  0  0  0
   18.3596  -11.5506    3.1134 C   0  0  0  0  0
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   20.0460  -13.1649    3.7702 N   0  0  0  0  0
   21.2063  -13.5244    4.1709 C   0  0  0  0  0
   22.2487  -12.7822    4.6040 N   0  0  0  0  0
   21.5283  -14.8347    4.2136 N   0  0  0  0  0
   15.3777  -10.1712    3.1339 C   0  0  0  0  0
   15.2467   -9.8277    4.3124 O   0  0  0  0  0
   14.2735  -10.6873    2.5223 N   0  0  0  0  0
   14.1428  -11.5077    1.3101 C   0  0  0  0  0
   14.4372  -10.7506    0.0099 C   0  0  0  0  0
   13.8459  -11.4702   -1.2043 C   0  0  0  0  0
   14.3315  -10.8331   -2.4831 C   0  0  0  0  0
   13.6644  -10.0452   -3.1423 O   0  0  0  0  0
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   16.0463  -12.9361    0.8731 O   0  0  0  0  0
   14.7010  -13.7062    2.4663 N   0  0  0  0  0
   13.3870  -14.1747    2.9534 C   0  0  0  0  0
   12.4871  -13.1129    3.5941 C   0  0  0  0  0
   11.3583  -13.7269    4.4278 C   0  0  0  0  0
   10.4729  -12.6454    5.0457 C   0  0  0  0  0
    9.3787  -13.2645    5.7835 N   0  0  0  0  0
    9.5404  -13.6129    7.0011 C   0  0  0  0  0
   10.6213  -13.5247    7.8063 N   0  0  0  0  0
    8.5202  -14.1931    7.6691 N   0  0  0  0  0
   12.7392  -14.8874    1.7563 C   0  0  0  0  0
   12.2087  -14.2342    0.8510 O   0  0  0  0  0
   12.8794  -16.2270    1.5503 N   0  0  0  0  0
   13.2734  -17.3472    2.4261 C   0  0  0  0  0
   14.6821  -17.2776    3.0348 C   0  0  0  0  0
   15.0933  -18.5695    3.7088 C   0  0  0  0  0
   15.7335  -19.5820    2.9835 C   0  0  0  0  0
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   15.1615  -19.9779    5.6929 C   0  0  0  0  0
   14.8131  -18.7777    5.0699 C   0  0  0  0  0
   16.1552  -22.1565    5.5213 O   0  0  0  0  0
   12.1957  -17.5523    3.4857 C   0  0  0  0  0
   11.9911  -16.8335    4.4506 O   0  0  0  0  0
   11.3752  -18.5858    3.2129 O   0  0  0  0  0
   20.2974    1.9873    7.6234 N   0  0  0  0  0
   20.5470    3.2070    7.0749 C   0  0  0  0  0
   19.8997    3.5228    6.0691 O   0  0  0  0  0
   21.6675    4.1463    7.5472 C   0  0  0  0  0
   21.6112    4.6190    9.0043 C   0  0  0  0  0
   22.5016    5.8257    9.2304 C   0  0  0  0  0
   22.0879    7.0988    8.8093 C   0  0  0  0  0
   22.9272    8.2015    8.9663 C   0  0  0  0  0
   24.1775    8.0357    9.5478 C   0  0  0  0  0
   24.6061    6.7838    9.9751 C   0  0  0  0  0
   23.7684    5.6784    9.8136 C   0  0  0  0  0
   24.9734    9.1354    9.6679 O   0  0  0  0  0
   22.9455    3.5477    7.1568 N   0  0  0  0  0
   23.5740    3.4987    5.9504 C   0  0  0  0  0
   24.6027    2.8106    5.9068 O   0  0  0  0  0
   23.0541    4.1563    4.6434 C   0  0  0  0  0
   22.5372    3.0540    3.6997 C   0  0  0  0  0
   22.5053    3.5419    2.2890 C   0  0  0  0  0
   23.5277    3.5893    1.3643 C   0  0  0  0  0
   22.9980    4.2292    0.2771 N   0  0  0  0  0
   21.6956    4.5179    0.5647 C   0  0  0  0  0
   21.3690    4.1136    1.7702 N   0  0  0  0  0
   22.0796    5.2384    4.7779 N   0  0  0  0  0
   22.2419    6.5828    4.8970 C   0  0  0  0  0
   21.2776    7.2468    5.2929 O   0  0  0  0  0
   23.5705    7.2932    4.5528 C   0  0  0  0  0
   24.7319    6.8787    5.4648 C   0  0  0  0  0
   25.8169    7.9593    5.5216 C   0  0  0  0  0
   26.9435    7.5671    6.4749 C   0  0  0  0  0
   28.0289    8.5332    6.3659 N   0  0  0  0  0
   28.0777    9.5424    7.1454 C   0  0  0  0  0
   27.2377    9.9406    8.1252 N   0  0  0  0  0
   29.1053   10.4124    7.0456 N   0  0  0  0  0
   23.8761    7.1176    3.1305 N   0  0  0  0  0
   23.4943    7.8579    2.0505 C   0  0  0  0  0
   23.6612    7.3552    0.9320 O   0  0  0  0  0
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   19.7273   10.9169    3.6324 C   0  0  0  0  0
   24.0170   10.1711    2.6872 N   0  0  0  0  0
   24.9021   10.9771    2.0416 C   0  0  0  0  0
   25.7858   11.5059    2.7263 O   0  0  0  0  0
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   24.8671   10.2026   -0.4184 C   0  0  0  0  0
   23.5484   12.1515    0.3713 N   0  0  0  0  0
   23.2215   13.4036    0.7927 C   0  0  0  0  0
   22.0226   13.7009    0.7141 O   0  0  0  0  0
   24.2313   14.4508    1.3294 C   0  0  0  0  0
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   23.9364   13.9741    3.8515 C   0  0  0  0  0
   24.5302   16.1551    3.0367 O   0  0  0  0  0
   25.6577   14.1304    1.2958 N   0  0  0  0  0
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   27.7863   14.1587    0.6438 O   0  0  0  0  0
   26.4062   15.7066   -0.5622 C   0  0  0  0  0
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298299  2  0  0  0
298590  1  0  0  0
299300  1  0  0  0
299302  1  0  0  0
300301  2  0  0  0
300591  1  0  0  0
301592  1  0  0  0
302593  1  0  0  0
303594  1  0  0  0
303595  1  0  0  0
M  END

>  <Chemical Name>
PYY, zebrafish

>  <PubChem CID>
57340161

>  <Formula>
C194H292N52O57

>  <Molecular Weight>
4264.777000

>  <IUPAC Name>


>  <XlogP>
-15.5

>  <Hydrogen Bond Donors>
56

>  <Hydrogen Bond Acceptors>
64

>  <Canonical SMILES>
CCC(C)C(C(=O)NC(CC(=O)N)C(=O)NC(CC(C)C)C(=O)NC(C(C)CC)C(=O)NC(C(C)O)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCC(=O)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)O)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(CC3=CNC=N3)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)C(C(C)O)NC(=O)C(CC4=CC=C(C=C4)O)NC(=O)C(CC5=CC=C(C=C5)O)NC(=O)C(CCCCN)NC(=O)C(C)NC(=O)C(CC(C)C)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C6CCCN6C(=O)C(C)NC(=O)C(C)NC(=O)C(CC(=O)O)NC(=O)C(CC(=O)O)NC(=O)CNC(=O)C7CCCN7C(=O)C(CC(=O)N)NC(=O)C(CCC(=O)O)NC(=O)C8CCCN8C(=O)C(CCCCN)NC(=O)C9CCCN9C(=O)C1CCCN1C(=O)C(CC1=CC=C(C=C1)O)N

>  <Isomeric SMILES>
CCC(C)[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)O)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CC3=CNC=N3)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C(C)O)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](CC5=CC=C(C=C5)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]6CCCN6C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H]7CCCN7C(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]8CCCN8C(=O)[C@H](CCCCN)NC(=O)[C@@H]9CCCN9C(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(C=C1)O)N

>  <InChI Std. ID>
InChI=1S/C194H292N52O57/c1-17-98(9)153(182(293)235-134(88-145(199)255)173(284)229-129(81-97(7)8)175(286)239-154(99(10)18-2)183(294)241-156(105(16)248)185(296)225-121(35-25-73-210-194(205)206)160(271)221-122(61-65-144(198)254)164(275)219-120(34-24-72-209-193(203)204)163(274)237-138(191(302)303)86-110-49-59-116(253)60-50-110)238-176(287)131(84-108-45-55-114(251)56-46-108)232-172(283)133(87-111-92-207-94-212-111)233-162(273)119(33-23-71-208-192(201)202)220-170(281)128(80-96(5)6)227-159(270)102(13)215-184(295)155(104(15)247)240-177(288)132(85-109-47-57-115(252)58-48-109)231-171(282)130(83-107-43-53-113(250)54-44-107)230-161(272)118(31-19-21-69-195)218-158(269)101(12)214-168(279)127(79-95(3)4)228-166(277)123(62-66-148(258)259)222-165(276)124(63-67-149(260)261)223-179(290)140-37-27-74-242(140)186(297)103(14)216-157(268)100(11)213-169(280)136(91-152(266)267)234-174(285)135(90-151(264)265)217-147(257)93-211-178(289)139-36-26-75-243(139)189(300)137(89-146(200)256)236-167(278)125(64-68-150(262)263)224-180(291)141-38-28-76-244(141)188(299)126(32-20-22-70-196)226-181(292)142-39-29-77-245(142)190(301)143-40-30-78-246(143)187(298)117(197)82-106-41-51-112(249)52-42-106/h41-60,92,94-105,117-143,153-156,247-253H,17-40,61-91,93,195-197H2,1-16H3,(H2,198,254)(H2,199,255)(H2,200,256)(H,207,212)(H,211,289)(H,213,280)(H,214,279)(H,215,295)(H,216,268)(H,217,257)(H,218,269)(H,219,275)(H,220,281)(H,221,271)(H,222,276)(H,223,290)(H,224,291)(H,225,296)(H,226,292)(H,227,270)(H,228,277)(H,229,284)(H,230,272)(H,231,282)(H,232,283)(H,233,273)(H,234,285)(H,235,293)(H,236,278)(H,237,274)(H,238,287)(H,239,286)(H,240,288)(H,241,294)(H,258,259)(H,260,261)(H,262,263)(H,264,265)(H,266,267)(H,302,303)(H4,201,202,208)(H4,203,204,209)(H4,205,206,210)/t98?,99?,100-,101-,102-,103-,104?,105+,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,153-,154-,155-,156-/m0/s1

>  <InChI Key>
LKVFLNHIISTRHC-BSVRDBRCSA-N

