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20:0-18:3-PS

PropertiesImage
MNX_IDMNXM32597 Image of MNXM32597
referencechebi:191348
formulaC44H79NO10P
global charge-1
mol weight813.087
InChIKeyYADPLOXKGSZJMY-BGFRNLFWSA-M
InChIInChI=1S/C44H80NO10P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(46)52-37-40(38-53-56(50,51)54-39-41(45)44(48)49)55-43(47)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,21,40-41H,3-5,7,9-11,13,15-17,19-20,22-39,45H2,1-2H3,(H,48,49)(H,50,51)/p-1/b8-6-,14-12-,21-18-/t40-,41+/m1/s1
SMILESCC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCC)COP(=O)([O-])OC[C@H]([NH3+])C(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C44H80NO10P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(46)52-37-40(38-53-56(50,51)54-39-41(45)44(48)49)55-43(47)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,21,40-41H,3-5,7,9-11,13,15-17,19-20,22-39,45H2,1-2H3,(H,48,49)(H,50,51)/b8-6-,14-12-,21-18-/t40-,41+/m1/s1 Image of MNXM32597
SMILES (mnx)[CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][CH2:20][CH2:22][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][C:42](=[O:46])[O:52][CH2:37][C@H:40]([CH2:38][O:53][P:56]([OH:50])(=[O:51])[O:54][CH2:39][C@@H:41]([C:44](=[O:48])[OH:49])[NH2:45])[O:55][C:43]([CH2:36][CH2:34][CH2:32][CH2:30][CH2:28][CH2:26][CH2:24]/[CH:21]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10]/[CH:8]=[CH:6]\[CH2:4][CH3:2])=[O:47]
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:191348
chebi:191348
YADPLOXKGSZJMY-BGFRNLFWSA-M 		20:0-18:3-PS
(2S)-2-azaniumyl-3-[[(2R)-3-icosanoyloxy-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxypropoxy]-oxidophosphoryl]oxypropanoate

metacyc.compound:CPD-8398
metacycM:CPD-8398
seed.compound:cpd25235
seedM:cpd25235
YADPLOXKGSZJMY-BGFRNLFWSA-M 		1-20:0-2-18:3-phosphatidylserine
1-eicosanoyl-2-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycero-3-phosphoserine
1-icosanoyl-2-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycero-3-phosphoserine
20:0-18:3-PS
phosphatidyl-L-serine (1-20:0-2-18:3)

SLM:000005815
slm:000005815
YADPLOXKGSZJMY-BGFRNLFWSA-M 		1-eicosanoyl-2-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycero-3-phospho-L-serine
PS(20:0/18:3(9Z,12Z,15Z))
Phosphatidylserine (20:0/18:3(9Z,12Z,15Z))
hmdb:HMDB0112521
YADPLOXKGSZJMY-BGFRNLFWSA-N 		PS(20:0/18:3(9Z,12Z,15Z))
(2S)-2-amino-3-({hydroxy[(2R)-3-(icosanoyloxy)-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propoxy]phosphoryl}oxy)propanoic acid
(2S)-2-amino-3-{[hydroxy((2R)-3-(icosanoyloxy)-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propoxy)phosphoryl]oxy}propanoic acid
1-arachidonyl-2-a-linolenoyl-sn-glycero-3-phosphoserine
1-arachidoyl-2-alpha-linolenoyl-sn-glycero-3-phosphoserine
1-eicosanoyl-2-(9Z,12Z,15Z-octadeatrienoyl)-sn-glycero-3-phosphoserine
PS(20:0/18:3)
PS(20:0/18:3n3)
PS(20:0/18:3w3)
PS(38:3)
PSer(20:0/18:3)
PSer(38:3)
Phosphatidylserine(20:0/18:3(9Z,12Z,15Z))
Phosphatidylserine(20:0/18:3)
Phosphatidylserine(20:0/18:3n3)
Phosphatidylserine(20:0/18:3w3)
Phosphatidylserine(38:3)
Pser(20:0/18:3(9Z,12Z,15Z))
Pser(20:0/18:3)
Pser(20:0/18:3n3)
Pser(20:0/18:3w3)
Pser(38:3)

lipidmaps:LMGP03010519
lipidmapsM:LMGP03010519
YADPLOXKGSZJMY-BGFRNLFWSA-N 		PS(20:0/18:3(9Z,12Z,15Z))
1-eicosanoyl-2-(9Z,12Z,15Z-octadecatrienoyl)-glycero-3-phosphoserine
PS 38:3
PS(18:3_20:0)
PS(38:3)

seedM:M_cpd25235 		secondary/obsolete/fantasy identifier