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PKOOA-PC

PropertiesImage
MNX_IDMNXM32968 Image of MNXM32968
referencelipidmapsM:LMGP20010015
formulaC32H58NO10P
global charge0
mol weight647.787
InChIKeyVZSPQCMFLSGTPO-UJOXVDDTSA-N
InChIInChI=1S/C32H58NO10P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-22-31(36)40-27-30(28-42-44(38,39)41-26-24-33(2,3)4)43-32(37)23-18-20-29(35)21-19-25-34/h19,21,25,30H,5-18,20,22-24,26-28H2,1-4H3/b21-19+/t30-/m1/s1
SMILESCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCC(=O)/C=C/C=O
MNX internals
InChI (mnx)InChI=1/C32H58NO10P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-22-31(36)40-27-30(28-42-44(38,39)41-26-24-33(2,3)4)43-32(37)23-18-20-29(35)21-19-25-34/h19,21,25,30H,5-18,20,22-24,26-28H2,1-4H3/b21-19+/t30-/m1/s1 Image of MNXM32968
SMILES (mnx)[CH3:1][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:22][C:31](=[O:36])[O:40][CH2:27][C@H:30]([CH2:28][O:42][P:44](=[O:38])([O-:39])[O:41][CH2:26][CH2:24][N+:33]([CH3:2])([CH3:3])[CH3:4])[O:43][C:32]([CH2:23][CH2:18][CH2:20][C:29](/[CH:21]=[CH:19]/[CH:25]=[O:34])=[O:35])=[O:37]
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

lipidmaps:LMGP20010015
lipidmapsM:LMGP20010015
VZSPQCMFLSGTPO-UJOXVDDTSA-N 		PKOOA-PC
1-hexadecanoyl-2-(5,8-dioxo-6E-octenoyl)-sn-glycero-3-phosphocholine
1-palmitoyl-2-(5,8-dioxo-6E-octenoyl)-sn-glycero-3-phosphocholine
O2
PC 24:3

seed.compound:cpd09709
seedM:cpd09709
VZSPQCMFLSGTPO-XUTLUUPISA-N 		1-Palmitoyl-2-(5-keto-8-oxo-6-octenoyl)-sn-glycero-3- phosphatidylcholine
1-Palmitoyl-2-(5-keto-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine

CHEBI:34122
chebi:34122
VZSPQCMFLSGTPO-XUTLUUPISA-N 		1-Palmitoyl-2-(5-keto-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine

kegg.compound:C13902
keggC:C13902
VZSPQCMFLSGTPO-XUTLUUPISA-N 		1-Palmitoyl-2-(5-keto-8-oxo-6-octenoyl)-sn-glycero-3-phosphocholine

keggC:M_C13902
seedM:M_cpd09709 		secondary/obsolete/fantasy identifier