MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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PS(16:0/18:1(11Z))

MNXM1107609 is deprecated and here replaced by MNXM1364372
!!! Alternative mappings exist !!!

	Properties	Image
MNX_ID	MNXM1364372
reference	chebi:170253
formula	C₄₀H₇₆NO₁₀P
global charge	0
mol weight	762.019
InChIKey	DHTAMDRFOGPYHA-FXBTWRSESA-N
InChI	InChI=1S/C40H76NO10P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-39(43)51-36(34-49-52(46,47)50-35-37(41)40(44)45)33-48-38(42)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h13,15,36-37H,3-12,14,16-35,41H2,1-2H3,(H,44,45)(H,46,47)/b15-13-/t36-,37+/m1/s1
SMILES	CCCCCC/C=C\CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OC[C@H](N)C(=O)O

MNX internals

InChI (mnx)	InChI=1/C40H76NO10P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-39(43)51-36(34-49-52(46,47)50-35-37(41)40(44)45)33-48-38(42)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h13,15,36-37H,3-12,14,16-35,41H2,1-2H3,(H,44,45)(H,46,47)/b15-13-/t36-,37+/m1/s1
SMILES (mnx)	[CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11]/[CH:13]=[CH:15]\[CH2:17][CH2:18][CH2:20][CH2:22][CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][C:39](=[O:43])[O:51][C@H:36]([CH2:33][O:48][C:38]([CH2:31][CH2:29][CH2:27][CH2:25][CH2:23][CH2:21][CH2:19][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:42])[CH2:34][O:49][P:52]([OH:46])(=[O:47])[O:50][CH2:35][C@@H:37]([C:40](=[O:44])[OH:45])[NH2:41]

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
Identifier	Description
CHEBI:170253 chebi:170253 DHTAMDRFOGPYHA-FXBTWRSESA-N	PS(16:0/18:1(11Z)) (2S)-2-amino-3-[[(2R)-3-hexadecanoyloxy-2-[(Z)-octadec-11-enoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
SLM:000005915 slm:000005915 DHTAMDRFOGPYHA-FXBTWRSESA-M	1-hexadecanoyl-2-(11Z-octadecenoyl)-sn-glycero-3-phospho-L-serine PS(16:0/18:1(11Z)) Phosphatidylserine (16:0/18:1(11Z))
hmdb:HMDB0112267 DHTAMDRFOGPYHA-FXBTWRSESA-N	PS(16:0/18:1(11Z)) (2S)-2-amino-3-({[(2R)-3-(hexadecanoyloxy)-2-[(11Z)-octadec-11-enoyloxy]propoxy](hydroxy)phosphoryl}oxy)propanoic acid (2S)-2-amino-3-{[(2R)-3-(hexadecanoyloxy)-2-[(11Z)-octadec-11-enoyloxy]propoxy(hydroxy)phosphoryl]oxy}propanoic acid 1-Hexadecanoyl-2-(11Z-octadecenoyl)-sn-glycero-3-phosphoserine 1-Palmitoyl-2-vaccenoyl-sn-glycero-3-phosphoserine PS(16:0/18:1) PS(34:1) Phosphatidylserine(16:0/18:1) Phosphatidylserine(34:1) pSer(16:0/18:1) pSer(34:1)
lipidmaps:LMGP03010007 lipidmapsM:LMGP03010007 DHTAMDRFOGPYHA-FXBTWRSESA-N	PS(16:0/18:1(11Z)) 1-hexadecanoyl-2-(11Z-octadecenoyl)-sn-glycero-3-phosphoserine PS 34:1 PS(16:0/18:1) PS(16:0_18:1) PS(34:1)
metacyc.compound:CPD-18365 metacycM:CPD-18365 seed.compound:cpd34760 seedM:cpd34760 DHTAMDRFOGPYHA-FXBTWRSESA-M	phosphatidylserine (1-palmitoyl, 2-cis-vaccenoyl)
seedM:M_cpd34760	secondary/obsolete/fantasy identifier