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22:0-18:1-PS

PropertiesImage
MNX_IDMNXM32623 Image of MNXM32623
referencechebi:191360
formulaC46H87NO10P
global charge-1
mol weight845.173
InChIKeyKFQGFVMICAOVBD-HOFUCYGESA-M
InChIInChI=1S/C46H88NO10P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-44(48)54-39-42(40-55-58(52,53)56-41-43(47)46(50)51)57-45(49)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h18,23,42-43H,3-17,19-22,24-41,47H2,1-2H3,(H,50,51)(H,52,53)/p-1/b23-18-/t42-,43+/m1/s1
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCCCC)COP(=O)([O-])OC[C@H]([NH3+])C(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C46H88NO10P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-44(48)54-39-42(40-55-58(52,53)56-41-43(47)46(50)51)57-45(49)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h18,23,42-43H,3-17,19-22,24-41,47H2,1-2H3,(H,50,51)(H,52,53)/b23-18-/t42-,43+/m1/s1 Image of MNXM32623
SMILES (mnx)[CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][CH2:20][CH2:21][CH2:22][CH2:24][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][C:44](=[O:48])[O:54][CH2:39][C@H:42]([CH2:40][O:55][P:58]([OH:52])(=[O:53])[O:56][CH2:41][C@@H:43]([C:46](=[O:50])[OH:51])[NH2:47])[O:57][C:45]([CH2:38][CH2:36][CH2:34][CH2:32][CH2:30][CH2:28][CH2:26]/[CH:23]=[CH:18]\[CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:49]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:191360
chebi:191360
KFQGFVMICAOVBD-HOFUCYGESA-M 		22:0-18:1-PS
(2S)-2-azaniumyl-3-[[(2R)-3-docosanoyloxy-2-[(Z)-octadec-9-enoyl]oxypropoxy]-oxidophosphoryl]oxypropanoate

metacyc.compound:CPD-8404
metacycM:CPD-8404
seed.compound:cpd25241
seedM:cpd25241
KFQGFVMICAOVBD-HOFUCYGESA-M 		1-22:0-2-18:1-phosphatidylserine
1-docosanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine
22:0-18:1-PS
phosphatidyl-L-serine (1-22:0-2-18:1)

SLM:000005677
slm:000005677
KFQGFVMICAOVBD-HOFUCYGESA-M 		1-docosanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-L-serine
PS(22:0/18:1(9Z))
Phosphatidylserine (22:0/18:1(9Z))
hmdb:HMDB0112714
KFQGFVMICAOVBD-HOFUCYGESA-N 		PS(22:0/18:1(9Z))
(2S)-2-amino-3-({[(2R)-3-(docosanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propoxy](hydroxy)phosphoryl}oxy)propanoic acid
(2S)-2-amino-3-{[(2R)-3-(docosanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propoxy(hydroxy)phosphoryl]oxy}propanoic acid
1-behenoyl-2-oleoyl-sn-glycero-3-phosphoserine
1-docosanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine
PS(22:0/18:1)
PS(22:0/18:1n9)
PS(22:0/18:1w9)
PS(40:1)
PSer(22:0/18:1)
PSer(40:1)
Phosphatidylserine(22:0/18:1(9Z))
Phosphatidylserine(22:0/18:1)
Phosphatidylserine(22:0/18:1n9)
Phosphatidylserine(22:0/18:1w9)
Phosphatidylserine(40:1)
Pser(22:0/18:1(9Z))
Pser(22:0/18:1)
Pser(22:0/18:1n9)
Pser(22:0/18:1w9)
Pser(40:1)

lipidmaps:LMGP03010945
lipidmapsM:LMGP03010945
KFQGFVMICAOVBD-HOFUCYGESA-N 		PS(22:0/18:1(9Z))
1-docosanoyl-2-(9Z-octadecenoyl)-glycero-3-phosphoserine
PS 40:1
PS(18:1_22:0)
PS(40:1)

seedM:M_cpd25241 		secondary/obsolete/fantasy identifier