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

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heptanoate

	Properties	Image
MNX_ID	MNXM7416
reference	chebi:32362
formula	C₇H₁₃O₂
global charge	-1
mol weight	129.179
InChIKey	MNWFXJYAOYHMED-UHFFFAOYSA-M
InChI	InChI=1S/C7H14O2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H,8,9)/p-1
SMILES	CCCCCCC(=O)[O-]

MNX internals

InChI (mnx)	InChI=1/C7H14O2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H,8,9)
SMILES (mnx)	[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][C:7](=[O:8])[OH:9]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	11
in models (compartimentalized)	8

Similar chemical compounds in external resources
Identifier	Description
CHEBI:32362 chebi:32362 MNWFXJYAOYHMED-UHFFFAOYSA-M	heptanoate (7:0) 1-hexanecarboxylate CH3-[CH2]5-COO(-) enanthate enanthylate heptanoic acid, ion(1-) heptoate heptylate n-heptanoate n-heptoate n-heptylate oenanthate oenanthylate
seed.compound:cpd15608 seedM:cpd15608 MNWFXJYAOYHMED-UHFFFAOYSA-M	HPA Heptanoic acid enanthic acid heptanoate heptanoic acid hpa oenanthylic acid
bigg.metabolite:hpa biggM:hpa sabiork.compound:20962 sabiorkM:20962 SLM:000389947 slm:000389947 MNWFXJYAOYHMED-UHFFFAOYSA-M	Heptanoate
kegg.compound:C17714 keggC:C17714 MNWFXJYAOYHMED-UHFFFAOYSA-N	Heptanoic acid
hmdb:HMDB0000666 MNWFXJYAOYHMED-UHFFFAOYSA-N	Heptanoic acid 1-Hexanecarboxylate 1-Hexanecarboxylic acid CH3-[CH2]5-COOH Enanthate Enanthic acid Enanthylate Enanthylic acid Heptanoate Heptansaeure Heptoate Heptoic acid Heptylate Heptylic acid N-Heptanoate N-Heptanoic acid N-Heptoate N-Heptoic acid N-Heptylate N-Heptylic acid Oenanthate Oenanthic acid Oenanthsaeure Oenanthylate Oenanthylic acid heptanoic acid
vmhM:M02108 vmhmetabolite:M02108 MNWFXJYAOYHMED-UHFFFAOYSA-M	Heptanoic acid heptanoic acid
bigg.metabolite:M02108 biggM:M02108 MNWFXJYAOYHMED-UHFFFAOYSA-N	Heptylic Acid
lipidmaps:LMFA01010007 lipidmapsM:LMFA01010007 MNWFXJYAOYHMED-UHFFFAOYSA-N	Heptylic acid C7:0 Enanthic acid Enanthoic acid Enanthylic acid FA 7:0 Heptoic acid Oenanthic acid heptanoic acid
envipath:...7b35d504952b envipathM:...7b35d504952b MNWFXJYAOYHMED-UHFFFAOYSA-M	compound 0044348
hmdb:HMDB0304376 MNWFXJYAOYHMED-UHFFFAOYSA-M	heptanoate (7:0) 1-Hexanecarboxylate 1-Hexanecarboxylic acid CH3-[CH2]5-COO(-) Enanthate Enanthic acid Enanthylate Enanthylic acid Heptanoate, ion(1-) Heptanoic acid Heptanoic acid, ion(1-) Heptoate Heptoic acid Heptylate Heptylic acid N-Heptanoate N-Heptanoic acid N-Heptoate N-Heptoic acid N-Heptylate N-Heptylic acid Oenanthate Oenanthic acid Oenanthylate Oenanthylic acid enanthate
metacyc.compound:CPD-7619 metacycM:CPD-7619 MNWFXJYAOYHMED-UHFFFAOYSA-M	heptanoate enanthic acid heptanoic acid oenanthylic acid
reactome:R-ALL-9753748 reactomeM:R-ALL-9753748 CHEBI:45571 chebi:45571 MNWFXJYAOYHMED-UHFFFAOYSA-N	heptanoic acid CH3-[CH2]5-COOH HEPTANOIC ACID Heptansaeure Oenanthsaeure enanthic acid enanthylic acid heptoic acid heptylic acid n-heptanoic acid n-heptoic acid n-heptylic acid oenanthic acid oenanthylic acid
hmdb:HMDB00666 chebi:24519 chebi:45568 biggM:M_M02108 biggM:M_hpa keggC:M_C17714 seedM:M_cpd15608 vmhM:M_M02108	secondary/obsolete/fantasy identifier