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1-stearoyl-2-(9,10-epoxyoctadecanoyl)-sn-glycero-3-phospho-L-serine(1-)

PropertiesImage
MNX_IDMNXM746955 Image of MNXM746955
referencechebi:143087
formulaC42H79NO11P
global charge-1
mol weight805.064
InChIKeyFWUHPCJHRCUGCZ-CUFWPVFCSA-M
InChIInChI=1S/C42H80NO11P/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-23-27-31-40(44)50-33-36(34-51-55(48,49)52-35-37(43)42(46)47)53-41(45)32-28-24-20-22-26-30-39-38(54-39)29-25-21-10-8-6-4-2/h36-39H,3-35,43H2,1-2H3,(H,46,47)(H,48,49)/p-1/t36-,37+,38?,39?/m1/s1
SMILESCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OC[C@H]([NH3+])C(=O)[O-])OC(=O)CCCCCCCC1OC1CCCCCCCC
MNX internals
InChI (mnx)InChI=1/C42H80NO11P/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-23-27-31-40(44)50-33-36(34-51-55(48,49)52-35-37(43)42(46)47)53-41(45)32-28-24-20-22-26-30-39-38(54-39)29-25-21-10-8-6-4-2/h36-39H,3-35,43H2,1-2H3,(H,46,47)(H,48,49)/t36-,37+,38?,39?/m1/s1 Image of MNXM746955
SMILES (mnx)[CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:23][CH2:27][CH2:31][C:40](=[O:44])[O:50][CH2:33][C@H:36]([CH2:34][O:51][P:55](=[O:48])([OH:49])[O:52][CH2:35][C@@H:37]([C:42](=[O:46])[OH:47])[NH2:43])[O:53][C:41]([CH2:32][CH2:28][CH2:24][CH2:20][CH2:22][CH2:26][CH2:30][CH:39]1[CH:38]([CH2:29][CH2:25][CH2:21][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])[O:54]1)=[O:45]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:143087
chebi:143087
FWUHPCJHRCUGCZ-CUFWPVFCSA-M
1-stearoyl-2-(9,10-epoxyoctadecanoyl)-sn-glycero-3-phospho-L-serine(1-)
1-octadecanoyl-2-(9,10-epoxyoctadecanoyl)-sn-glycero-3-phospho-L-serine
1-stearoyl-2-(9,10-epoxyoctadecanoyl)-sn-glycero-3-phosphoserine(1-)
PS ox-18:0/18:1(1-)

vmhM:g3ps_1ocdca2ocdca9epox
vmhM:g3ps_1ocdca2ocdca9epox
vmhmetabolite:g3ps_1ocdca2ocdca9epox
vmhmetabolite:g3ps_1ocdca2ocdca9epox
FWUHPCJHRCUGCZ-CUFWPVFCSA-M
1-octadecanoyl-2-(9,10-epoxyoctadecanoyl)-sn-glycero-3-phospho-L-serine

vmhM:g3pser_1ocdca_2ocdca910epox
vmhM:g3pser_1ocdca_2ocdca910epox
vmhM:M_g3ps_1ocdca2ocdca9epox
secondary/obsolete/fantasy identifier