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1-(15-methylhexadecanoyl)-2-(15Z,18Z,21Z,24Z,27Z-triacontapentaenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol)

PropertiesImage
MNX_IDMNXM228152 Image of MNXM228152
referenceslm:000038096
formulaC53H94O10P
global charge-1
mol weight922.299
InChIKeyYBHGKEWHJHFSJI-CKYXTZNMSA-M
InChIInChI=1S/C53H95O10P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-28-32-35-38-41-44-53(57)63-51(48-62-64(58,59)61-46-50(55)45-54)47-60-52(56)43-40-37-34-31-29-26-27-30-33-36-39-42-49(2)3/h5-6,8-9,11-12,14-15,17-18,49-51,54-55H,4,7,10,13,16,19-48H2,1-3H3,(H,58,59)/p-1/b6-5-,9-8-,12-11-,15-14-,18-17-/t50-,51+/m0/s1
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCC(C)C)COP(=O)([O-])OC[C@@H](O)CO
MNX internals
InChI (mnx)InChI=1/C53H95O10P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-28-32-35-38-41-44-53(57)63-51(48-62-64(58,59)61-46-50(55)45-54)47-60-52(56)43-40-37-34-31-29-26-27-30-33-36-39-42-49(2)3/h5-6,8-9,11-12,14-15,17-18,49-51,54-55H,4,7,10,13,16,19-48H2,1-3H3,(H,58,59)/b6-5-,9-8-,12-11-,15-14-,18-17-/t50-,51+/m0/s1 Image of MNXM228152
SMILES (mnx)[CH3:1][CH2:4]/[CH:5]=[CH:6]\[CH2:7]/[CH:8]=[CH:9]\[CH2:10]/[CH:11]=[CH:12]\[CH2:13]/[CH:14]=[CH:15]\[CH2:16]/[CH:17]=[CH:18]\[CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:28][CH2:32][CH2:35][CH2:38][CH2:41][CH2:44][C:53](=[O:57])[O:63][C@H:51]([CH2:47][O:60][C:52]([CH2:43][CH2:40][CH2:37][CH2:34][CH2:31][CH2:29][CH2:26][CH2:27][CH2:30][CH2:33][CH2:36][CH2:39][CH2:42][CH:49]([CH3:2])[CH3:3])=[O:56])[CH2:48][O:62][P:64]([OH:58])(=[O:59])[O:61][CH2:46][C@H:50]([CH2:45][OH:54])[OH:55]
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:000038096
slm:000038096
YBHGKEWHJHFSJI-CKYXTZNMSA-M
1-(15-methylhexadecanoyl)-2-(15Z,18Z,21Z,24Z,27Z-triacontapentaenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol)
PG(17:0/30:5(15Z,18Z,21Z,24Z,27Z))
Phosphatidylglycerol (17:0/30:5(15Z,18Z,21Z,24Z,27Z))