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18:3-16:3-PA

PropertiesImage
MNX_IDMNXM32581 Image of MNXM32581
referencechebi:191289
formulaC37H59O8P
global charge-2
mol weight662.845
InChIKeyINZFHWSISOLQEQ-CXGDOZRDSA-L
InChIInChI=1S/C37H61O8P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-36(38)43-33-35(34-44-46(40,41)42)45-37(39)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h5-8,11-14,17-19,22,35H,3-4,9-10,15-16,20-21,23-34H2,1-2H3,(H2,40,41,42)/p-2/b7-5-,8-6-,13-11-,14-12-,18-17-,22-19-/t35-/m1/s1
SMILESCC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])[O-])OC(=O)CCCCC/C=C\C/C=C\C/C=C\CC
MNX internals
InChI (mnx)InChI=1/C37H61O8P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-36(38)43-33-35(34-44-46(40,41)42)45-37(39)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h5-8,11-14,17-19,22,35H,3-4,9-10,15-16,20-21,23-34H2,1-2H3,(H2,40,41,42)/b7-5-,8-6-,13-11-,14-12-,18-17-,22-19-/t35-/m1/s1 Image of MNXM32581
SMILES (mnx)[CH3:1][CH2:3]/[CH:5]=[CH:7]\[CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:18]\[CH2:20][CH2:21][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][C:36](=[O:38])[O:43][CH2:33][C@H:35]([CH2:34][O:44][P:46]([OH:40])([OH:41])=[O:42])[O:45][C:37]([CH2:32][CH2:30][CH2:28][CH2:26][CH2:24]/[CH:22]=[CH:19]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10]/[CH:8]=[CH:6]\[CH2:4][CH3:2])=[O:39]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:191289
chebi:191289
INZFHWSISOLQEQ-CXGDOZRDSA-L
18:3-16:3-PA
[(2R)-2-[(7Z,10Z,13Z)-hexadeca-7,10,13-trienoyl]oxy-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxypropyl] phosphate

seed.compound:cpd25123
seedM:cpd25123
INZFHWSISOLQEQ-CXGDOZRDSA-L
1-(9Z,12Z,15Z-octadecatrienoyl)-2-(7Z, 10Z, 13Z-hexadecatrienoyl)-sn-glycero-3-phosphate
1-18:3-2-16:3-phosphatidate
1-18:3-2-16:3-phosphatidic acid
18:3-16:3-PA

metacyc.compound:CPD-8266
metacycM:CPD-8266
INZFHWSISOLQEQ-CXGDOZRDSA-L
1-18:3-2-16:3-phosphatidate
1-(9Z,12Z,15Z-octadecatrienoyl)-2-(7Z, 10Z, 13Z-hexadecatrienoyl)-sn-glycero-3-phosphate
1-18:3-2-16:3-phosphatidic acid
18:3-16:3-PA

seedM:M_cpd25123
secondary/obsolete/fantasy identifier