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

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N-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sphing-4-enine

	Properties	Image
MNX_ID	MNXM147176
reference	chebi:85198
formula	C₃₈H₆₇NO₃
global charge	0
mol weight	585.958
InChIKey	JFUBEVZVSISOGF-DNLSVOTPSA-N
InChI	InChI=1S/C38H67NO3/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-38(42)39-36(35-40)37(41)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h11,13,17-18,20,22,26,28,31,33,36-37,40-41H,3-10,12,14-16,19,21,23-25,27,29-30,32,34-35H2,1-2H3,(H,39,42)/b13-11-,18-17-,22-20-,28-26-,33-31+/t36-,37+/m0/s1
SMILES	CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)N[C@@H](CO)[C@H](O)/C=C/CCCCCCCCCCCCC

MNX internals

InChI (mnx)	InChI=1/C38H67NO3/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-38(42)39-36(35-40)37(41)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h11,13,17-18,20,22,26,28,31,33,36-37,40-41H,3-10,12,14-16,19,21,23-25,27,29-30,32,34-35H2,1-2H3,(H,39,42)/b13-11-,18-17-,22-20-,28-26-,33-31+/t36-,37+/m0/s1
SMILES (mnx)	[CH3:1][CH2:3][CH2:5][CH2:7][CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:18]\[CH2:19]/[CH:20]=[CH:22]\[CH2:24]/[CH:26]=[CH:28]\[CH2:30][CH2:32][CH2:34][C:38](=[N:39][C@@H:36]([CH2:35][OH:40])[C@@H:37](/[CH:33]=[CH:31]/[CH2:29][CH2:27][CH2:25][CH2:23][CH2:21][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])[OH:41])[OH:42]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	1

Similar chemical compounds in external resources
Identifier	Description
CHEBI:85198 chebi:85198 JFUBEVZVSISOGF-DNLSVOTPSA-N	N-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sphing-4-enine (5Z,8Z,11Z,14Z)-N-[(2S,3R,4E)-1,3-dihydroxyoctadec-4-en-2-yl]icosa-5,8,11,14-tetraenamide Cer(d18:1/20:4) N-arachidonoylsphing-4-enine N-arachidonoylsphingosine
SLM:000390101 slm:000390101 JFUBEVZVSISOGF-DNLSVOTPSA-N	N-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sphing-4-enine Cer(d18:1(4E)/20:4(5Z,8Z,11Z,14Z)) Ceramide (d18:1(4E)/20:4(5Z,8Z,11Z,14Z))