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

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decanoate

	Properties	Image
MNX_ID	MNXM1043
reference	chebi:27689
formula	C₁₀H₁₉O₂
global charge	-1
mol weight	171.26
InChIKey	GHVNFZFCNZKVNT-UHFFFAOYSA-M
InChI	InChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12)/p-1
SMILES	CCCCCCCCCC(=O)[O-]

MNX internals

InChI (mnx)	InChI=1/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12)
SMILES (mnx)	[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][C:10](=[O:11])[OH:12]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	50
in models (compartimentalized)	26

Similar chemical compounds in external resources
Identifier	Description
reactome:R-ALL-422019 reactomeM:R-ALL-422019 reactome:R-ALL-879581 reactomeM:R-ALL-879581 reactome:R-ALL-879620 reactomeM:R-ALL-879620 CHEBI:27689 chebi:27689 GHVNFZFCNZKVNT-UHFFFAOYSA-M	decanoate 1-nonanecarboxylate CH3-[CH2]8-COO(-) caprate caprinate caprynate decanoic acid anion decoate decylate n-caprate n-decanoate n-decoate n-decylate nC9H19CO2 anion
hmdb:HMDB0000511 GHVNFZFCNZKVNT-UHFFFAOYSA-N	Capric acid 1-Nonanecarboxylate 1-Nonanecarboxylic acid 10:0 C10:0 CH3-[CH2]8-COOH Caprate Caprinate Caprinic acid Caprynate Caprynic acid Decanoate Decanoic acid Decanoic acid, sodium salt Decoate Decoic acid Decylate Decylic acid Dekansaeure Emery 659 FA(10:0) Kaprinsaeure Lunac 10-95 Lunac 10-98 N-Caprate N-Capric acid N-Decanoate N-Decanoic acid N-Decoate N-Decoic acid N-Decylate N-Decylic acid Prifac 2906 Prifac 296 Sodium caprate Sodium decanoate capric acid decanoic acid
lipidmaps:LMFA01010010 lipidmapsM:LMFA01010010 GHVNFZFCNZKVNT-UHFFFAOYSA-N	Capric acid C10:0 Caprinic acid Decanoic acid Decoic acid Decylic acid FA 10:0
bigg.metabolite:dca biggM:dca GHVNFZFCNZKVNT-UHFFFAOYSA-M	Decanoate (n-C10:0)
vmhM:dca vmhmetabolite:dca GHVNFZFCNZKVNT-UHFFFAOYSA-M	Decanoate (n-C10:0) decanoic acid
seed.compound:cpd01107 seedM:cpd01107 GHVNFZFCNZKVNT-UHFFFAOYSA-M	Decanoate Decanoate (n-C10:0) Decanoic acid Decylic acid caprate caprinate caprinic acid dca decanoate decanoic acid n-Capric acid n-capric acid n-decanoate
sabiork.compound:2296 sabiorkM:2296 GHVNFZFCNZKVNT-UHFFFAOYSA-N	Decanoate Decanoic acid Decylic acid n-Capric acid
kegg.compound:C01571 keggC:C01571 GHVNFZFCNZKVNT-UHFFFAOYSA-N	Decanoic acid Decanoate Decylic acid n-Capric acid
vmhM:HC02175 vmhmetabolite:HC02175 GHVNFZFCNZKVNT-UHFFFAOYSA-M	caprate decanoic acid
SLM:000000855 slm:000000855 GHVNFZFCNZKVNT-UHFFFAOYSA-M	decanoate Caprate
metacyc.compound:CPD-3617 metacycM:CPD-3617 GHVNFZFCNZKVNT-UHFFFAOYSA-M	decanoate caprate capric acid caprinate caprinic acid decanoic acid n-capric acid n-decanoate
CHEBI:30813 chebi:30813 GHVNFZFCNZKVNT-UHFFFAOYSA-N	decanoic acid 1-nonanecarboxylic acid 10:0 C10:0 CH3-[CH2]8-COOH DECANOIC ACID Decanoate Decanoic acid Decylic acid Dekansaeure Kaprinsaeure capric acid caprinic acid decoic acid n-Capric acid n-decanoic acid n-decoic acid n-decylic acid
hmdb:HMDB00511 chebi:125804 chebi:23570 chebi:23572 chebi:41906 chebi:4347 biggM:M_dca keggC:M_C01571 seedM:M_cpd01107 vmhM:M_HC02175 vmhM:M_dca	secondary/obsolete/fantasy identifier