Molecule ID: 71668296

IUPAC Name: [(2R)-2-hydroxy-3-[hydroxy-[(2R,3S,5R,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropyl] (Z)-heptadec-10-enoate

Description: The molecule is a 1-acyl-sn-glycero-3-phospho-1D-myo-inositol in which the 1-acyl group is specified as (10Z)-heptadecenoyl. It is a conjugate acid of a 1-(10Z)-heptadecenoyl-sn-glycero-3-phospho-1D-myo-inositol(1-).

SMILES: CCCCCC/C=C\CCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)OC1[C@H](O)[C@H](O)C(O)[C@H](O)[C@H]1O

SELFIES: [C][C][C][C][C][C][/C][=C][\C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C][C@@H1][Branch1][C][O][C][O][P][=Branch1][C][=O][Branch1][C][O][O][C][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O]

InChI: InChI=1S/C26H49O12P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(28)36-17-19(27)18-37-39(34,35)38-26-24(32)22(30)21(29)23(31)25(26)33/h7-8,19,21-27,29-33H,2-6,9-18H2,1H3,(H,34,35)/b8-7-/t19-,21?,22-,23+,24-,25-,26?/m1/s1

Molecular Properties:
- Polar Surface Area: 203.0 Ų
- LogP: 1.9