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

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N-nonadecanoyl-15-methylhexadecasphing-4-enine

	Properties	Image
MNX_ID	MNXM107103
reference	chebi:71371
formula	C₃₆H₇₁NO₃
global charge	0
mol weight	565.968
InChIKey	BIDFSEGKCIQNAN-QPOVONJZSA-N
InChI	InChI=1S/C36H71NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-19-22-25-28-31-36(40)37-34(32-38)35(39)30-27-24-21-18-16-17-20-23-26-29-33(2)3/h27,30,33-35,38-39H,4-26,28-29,31-32H2,1-3H3,(H,37,40)/b30-27+/t34-,35+/m0/s1
SMILES	CCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)/C=C/CCCCCCCCCC(C)C

MNX internals

InChI (mnx)	InChI=1/C36H71NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-19-22-25-28-31-36(40)37-34(32-38)35(39)30-27-24-21-18-16-17-20-23-26-29-33(2)3/h27,30,33-35,38-39H,4-26,28-29,31-32H2,1-3H3,(H,37,40)/b30-27+/t34-,35+/m0/s1
SMILES (mnx)	[CH3:1][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:19][CH2:22][CH2:25][CH2:28][CH2:31][C:36](=[N:37][C@@H:34]([CH2:32][OH:38])[C@@H:35](/[CH:30]=[CH:27]/[CH2:24][CH2:21][CH2:18][CH2:16][CH2:17][CH2:20][CH2:23][CH2:26][CH2:29][CH:33]([CH3:2])[CH3:3])[OH:39])[OH:40]

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:71371 chebi:71371 BIDFSEGKCIQNAN-QPOVONJZSA-N	N-nonadecanoyl-15-methylhexadecasphing-4-enine N-[(2S,3R,4E)-1,3-dihydroxy-15-methylhexadec-4-en-2-yl]nonadecanamide
SLM:000396340 slm:000396340 BIDFSEGKCIQNAN-QPOVONJZSA-N	N-(nonadecanoyl)-15-methylhexadecasphing-4-enine Cer(iso-d17:1(4E)/19:0) Ceramide (iso-d17:1(4E)/19:0)