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1-(9Z-tetradecenoyl)-2-(18Z,21Z,24Z,27Z,30Z,33Z-hexatriacontahexaenoyl)-sn-glycero-3-phosphate

PropertiesImage
MNX_IDMNXM336348 Image of MNXM336348
referenceslm:000025371
formulaC53H89O8P
global charge-2
mol weight885.261
InChIKeyBYRLXHWRNQTSSI-PBHRCRTGSA-L
InChIInChI=1S/C53H91O8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-38-40-42-44-46-48-53(55)61-51(50-60-62(56,57)58)49-59-52(54)47-45-43-41-39-37-14-12-10-8-6-4-2/h5,7,10-13,16-17,19-20,22-23,25-26,51H,3-4,6,8-9,14-15,18,21,24,27-50H2,1-2H3,(H2,56,57,58)/p-2/b7-5-,12-10-,13-11-,17-16-,20-19-,23-22-,26-25-/t51-/m1/s1
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCC)COP(=O)([O-])[O-]
MNX internals
InChI (mnx)InChI=1/C53H91O8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-38-40-42-44-46-48-53(55)61-51(50-60-62(56,57)58)49-59-52(54)47-45-43-41-39-37-14-12-10-8-6-4-2/h5,7,10-13,16-17,19-20,22-23,25-26,51H,3-4,6,8-9,14-15,18,21,24,27-50H2,1-2H3,(H2,56,57,58)/b7-5-,12-10-,13-11-,17-16-,20-19-,23-22-,26-25-/t51-/m1/s1 Image of MNXM336348
SMILES (mnx)[CH3:1][CH2:3]/[CH:5]=[CH:7]\[CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:16]=[CH:17]\[CH2:18]/[CH:19]=[CH:20]\[CH2:21]/[CH:22]=[CH:23]\[CH2:24]/[CH:25]=[CH:26]\[CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:38][CH2:40][CH2:42][CH2:44][CH2:46][CH2:48][C:53](=[O:55])[O:61][C@H:51]([CH2:49][O:59][C:52]([CH2:47][CH2:45][CH2:43][CH2:41][CH2:39][CH2:37][CH2:14]/[CH:12]=[CH:10]\[CH2:8][CH2:6][CH2:4][CH3:2])=[O:54])[CH2:50][O:60][P:62]([OH:56])([OH:57])=[O:58]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

SLM:000025371
slm:000025371
BYRLXHWRNQTSSI-PBHRCRTGSA-L
1-(9Z-tetradecenoyl)-2-(18Z,21Z,24Z,27Z,30Z,33Z-hexatriacontahexaenoyl)-sn-glycero-3-phosphate
PA(14:1(9Z)/36:6(18Z,21Z,24Z,27Z,30Z,33Z))
Phosphatidate (14:1(9Z)/36:6(18Z,21Z,24Z,27Z,30Z,33Z))