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

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Cer(d18:1/24:2(5Z,9Z))

	Properties	Image
MNX_ID	MNXM1130076
reference	hmdb:HMDB0240679
formula	C₄₂H₇₉NO₃
global charge	0
mol weight	646.098
InChIKey	QMVWGDBKESWTON-XYOXGLGDSA-N
InChI	InChI=1S/C42H79NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-42(46)43-40(39-44)41(45)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h23-24,30,32,35,37,40-41,44-45H,3-22,25-29,31,33-34,36,38-39H2,1-2H3,(H,43,46)/b24-23-,32-30-,37-35+/t40-,41+/m0/s1
SMILES	CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO)NC(=O)CCC/C=C\CC/C=C\CCCCCCCCCCCCCC

MNX internals

InChI (mnx)	InChI=1/C42H79NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-42(46)43-40(39-44)41(45)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h23-24,30,32,35,37,40-41,44-45H,3-22,25-29,31,33-34,36,38-39H2,1-2H3,(H,43,46)/b24-23-,32-30-,37-35+/t40-,41+/m0/s1
SMILES (mnx)	[CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22]/[CH:23]=[CH:24]\[CH2:26][CH2:28]/[CH:30]=[CH:32]\[CH2:34][CH2:36][CH2:38][C:42](=[N:43][C@@H:40]([CH2:39][OH:44])[C@@H:41](/[CH:37]=[CH:35]/[CH2:33][CH2:31][CH2:29][CH2:27][CH2:25][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])[OH:45])[OH:46]

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
hmdb:HMDB0240679 QMVWGDBKESWTON-XYOXGLGDSA-N	Cer(d18:1/24:2(5Z,9Z)) (5Z,9Z)-N-[(2S,3R)-1,3-Dihydroxyoctadec-4-en-2-yl]tetracosa-5,9-dienimidate (5Z,9Z)-N-[(2S,3R,4E)-1,3-dihydroxyoctadec-4-en-2-yl]tetracosa-5,9-dienamide Cer D18:1/24:2 Cer D18:1/24:2(5Z,9Z) Cer(D18:1/24:2) Ceramide (D18:1,C24:2(5Z,9Z)) Ceramide (D18:1,C24:2) Ceramide (D18:1/24:2(5Z,9Z)) Ceramide (D18:1/24:2) Ceramide(D18:1/24:2(5Z,9Z)) Ceramide(D18:1/24:2)