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1-oleoyl-2-hexadecanoyl-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate)

PropertiesImage
MNX_IDMNXM74779 Image of MNXM74779
referencechebi:136816
formulaC40H78O13P2
global charge0
mol weight828.999
InChIKeyWQMDYQSTTXRXLQ-HGWHEPCSSA-N
InChIInChI=1S/C40H78O13P2/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-39(42)49-35-38(36-52-55(47,48)51-34-37(41)33-50-54(44,45)46)53-40(43)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h17-18,37-38,41H,3-16,19-36H2,1-2H3,(H,47,48)(H2,44,45,46)/b18-17-/t37-,38+/m0/s1
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](O)COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C40H78O13P2/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-39(42)49-35-38(36-52-55(47,48)51-34-37(41)33-50-54(44,45)46)53-40(43)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h17-18,37-38,41H,3-16,19-36H2,1-2H3,(H,47,48)(H2,44,45,46)/b18-17-/t37-,38+/m0/s1 Image of MNXM74779
SMILES (mnx)[CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15]/[CH:17]=[CH:18]\[CH2:20][CH2:21][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][C:39](=[O:42])[O:49][CH2:35][C@H:38]([CH2:36][O:52][P:55]([OH:47])(=[O:48])[O:51][CH2:34][C@H:37]([CH2:33][O:50][P:54]([OH:44])([OH:45])=[O:46])[OH:41])[O:53][C:40]([CH2:32][CH2:30][CH2:28][CH2:26][CH2:24][CH2:22][CH2:19][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:43]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:136816
chebi:136816
WQMDYQSTTXRXLQ-HGWHEPCSSA-N 		1-oleoyl-2-hexadecanoyl-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate)
(2R,8S)-2-(hexadecanoyloxy)-5,8,11,11-tetrahydroxy-5,11-dioxo-4,6,10-trioxa-5lambda(5),11lambda(5)-diphosphaundecan-1-yl (9Z)-octadec-9-enoate
1-(9Z-octadecenoyl)-2-hexadecanoyl-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate)
1-[(9Z)-octadecenoyl]-2-hexadcanoyl-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate)
1-oleoyl-2-palmitoyl-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate)
PGP(18:1(9Z)/16:0)
PGP(18:1n9/16:0)
Phosphatidylglycerophosphate (1-octadecenoyl(9Z),2-palmitoyl)
phosphatidylglycerophosphate 18:1(9Z)/16:0

SLM:000475458
slm:000475458
WQMDYQSTTXRXLQ-HGWHEPCSSA-K 		1-(9Z-octadecenoyl)-2-hexadecanoyl-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate)
PGP(18:1(9Z)/16:0)
Phosphatidylglycerophosphate (18:1(9Z)/16:0)
hmdb:HMDB0013532
WQMDYQSTTXRXLQ-HGWHEPCSSA-N 		PGP(18:1(9Z)/16:0)
(2S)-3-{[(2R)-2-(hexadecanoyloxy)-3-[(9Z)-octadec-9-enoyloxy]propoxy(hydroxy)phosphoryl]oxy}-2-hydroxypropoxyphosphonic acid
1-(9Z-Octadecenoyl)-2-hexadecanoyl-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate)
1-(9Z-Octadecenoyl)-2-hexadecanoyl-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphoric acid)
1-Oleoyl-2-palmitoyl-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate)
1-Oleoyl-2-palmitoyl-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphoric acid)
1-[(9Z)-Octadecenoyl]-2-hexadcanoyl-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate)
1-[(9Z)-Octadecenoyl]-2-hexadcanoyl-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphoric acid)
3-sn-phosphatidyl-1'-sn-glycerol 3'-phosphoric acid
PGP(18:1/16:0)
PGP(18:1W9/16:0)
PGP(18:1n9/16:0)
PGP(34:1)
Phosphatidylglycerophosphate (1-octadecenoyl(9Z),2-palmitoyl)
Phosphatidylglycerophosphate 18:1(9Z)/16:0
Phosphatidylglycerophosphoric acid (1-octadecenoyl(9Z),2-palmitoyl)
Phosphatidylglycerophosphoric acid 18:1(9Z)/16:0
[(2S)-3-({[(2R)-2-(hexadecanoyloxy)-3-[(9Z)-octadec-9-enoyloxy]propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy]phosphonic acid

metacyc.compound:CPDQT-520
metacycM:CPDQT-520
WQMDYQSTTXRXLQ-HGWHEPCSSA-K 		phosphatidylglycerolphosphate (1-oleoyl, 2-palmitoyl)
phosphatidylglycerophosphate (1-18:1(9Z), 2-16:1)
phosphatidylglycerophosphate (1-octadecenoyl(9Z), 2-palmitoyl)

seed.compound:cpd26657
seedM:cpd26657
WQMDYQSTTXRXLQ-HGWHEPCSSA-K 		phosphatidylglycerophosphate (1-18:1(9Z), 2-16:1)
phosphatidylglycerophosphate (1-octadecenoyl(9Z), 2-palmitoyl)

hmdb:HMDB13532
seedM:M_cpd26657 		secondary/obsolete/fantasy identifier