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

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docosanal

	Properties	Image
MNX_ID	MNXM17381
reference	metacycM:CPD-7879
formula	C₂₂H₄₄O
global charge	0
mol weight	324.593
InChIKey	ULCXRAFXRZTNRO-UHFFFAOYSA-N
InChI	InChI=1S/C22H44O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23/h22H,2-21H2,1H3
SMILES	CCCCCCCCCCCCCCCCCCCCCC=O

MNX internals

InChI (mnx)	InChI=1/C22H44O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23/h22H,2-21H2,1H3
SMILES (mnx)	[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH:22]=[O:23]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	12
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
metacyc.compound:CPD-7879 metacycM:CPD-7879 seed.compound:cpd24937 seedM:cpd24937 ULCXRAFXRZTNRO-UHFFFAOYSA-N	docosanal
sabiork.compound:20838 sabiorkM:20838 ULCXRAFXRZTNRO-UHFFFAOYSA-N	Docosanal
hmdb:HMDB0251560 ULCXRAFXRZTNRO-UHFFFAOYSA-N	Docosanal behenoyl docosanal
seedM:M_cpd24937	secondary/obsolete/fantasy identifier