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1-(9Z,12Z-hexadecadienoyl)-2-heneicosanoyl-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate)

PropertiesImage
MNX_IDMNXM324680 Image of MNXM324680
referenceslm:000475218
formulaC43H79O13P2
global charge-3
mol weight866.04
InChIKeyUCSPAXVPMWZCDB-GBQWYVBISA-K
InChIInChI=1S/C43H82O13P2/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-35-43(46)56-41(39-55-58(50,51)54-37-40(44)36-53-57(47,48)49)38-52-42(45)34-32-30-28-26-24-22-16-14-12-10-8-6-4-2/h8,10,14,16,40-41,44H,3-7,9,11-13,15,17-39H2,1-2H3,(H,50,51)(H2,47,48,49)/p-3/b10-8-,16-14-/t40-,41+/m0/s1
SMILESCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OC[C@@H](O)COP(=O)([O-])[O-])OC(=O)CCCCCCCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C43H82O13P2/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-35-43(46)56-41(39-55-58(50,51)54-37-40(44)36-53-57(47,48)49)38-52-42(45)34-32-30-28-26-24-22-16-14-12-10-8-6-4-2/h8,10,14,16,40-41,44H,3-7,9,11-13,15,17-39H2,1-2H3,(H,50,51)(H2,47,48,49)/b10-8-,16-14-/t40-,41+/m0/s1 Image of MNXM324680
SMILES (mnx)[CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][C:43](=[O:46])[O:56][C@H:41]([CH2:38][O:52][C:42]([CH2:34][CH2:32][CH2:30][CH2:28][CH2:26][CH2:24][CH2:22]/[CH:16]=[CH:14]\[CH2:12]/[CH:10]=[CH:8]\[CH2:6][CH2:4][CH3:2])=[O:45])[CH2:39][O:55][P:58]([OH:50])(=[O:51])[O:54][CH2:37][C@H:40]([CH2:36][O:53][P:57]([OH:47])([OH:48])=[O:49])[OH:44]
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:000475218
slm:000475218
UCSPAXVPMWZCDB-GBQWYVBISA-K
1-(9Z,12Z-hexadecadienoyl)-2-heneicosanoyl-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate)
PGP(16:2(9Z,12Z)/21:0)
Phosphatidylglycerophosphate (16:2(9Z,12Z)/21:0)