| PDB CCD ID: | VX9 |
| Number of entries in BioLiP: | 4 |
| Chemical formula: | C31 H56 O4 |
| InChI: | InChI=1S/C31H56O4/c1-7-23(4)28(24(5)11-8-10-22(2)3)13-9-12-25-14-15-26-20-27(18-19-31(26,6)21-25)35-30(34)17-16-29(32)33/h22-28H,7-21H2,1-6H3,(H,32,33)/t23-,24+,25-,26-,27-,28-,31+/m0/s1 |
| InChIKey: | CAWMEKGHGQMGSF-ZGQNKYPXSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | CCC(C)C(CCCC1CCC2CC(CCC2(C1)C)OC(=O)CCC(=O)O)C(C)CCCC(C)C | | CACTVS 3.385 | CC[C@H](C)[C@H](CCC[C@H]1CC[C@H]2C[C@H](CC[C@]2(C)C1)OC(=O)CCC(O)=O)[C@H](C)CCCC(C)C | | OpenEye OEToolkits 2.0.7 | CC[C@H](C)[C@H](CCC[C@H]1CC[C@H]2C[C@H](CC[C@@]2(C1)C)OC(=O)CCC(=O)O)[C@H](C)CCCC(C)C | | CACTVS 3.385 | CC[CH](C)[CH](CCC[CH]1CC[CH]2C[CH](CC[C]2(C)C1)OC(=O)CCC(O)=O)[CH](C)CCCC(C)C |
|
| Name: | 4-[[(2~{S},4~{a}~{R},6~{S},8~{a}~{S})-6-[(4~{S},5~{R})-4-[(2~{S})-butan-2-yl]-5,9-dimethyl-decyl]-4~{a}-methyl-2,3,4,5,6,7,8,8~{a}-octahydro-1~{H}-naphthalen-2-yl]oxy]-4-oxidanylidene-butanoic acid |
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