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

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octadecanoate

	Properties	Image
MNX_ID	MNXM236
reference	chebi:25629
formula	C₁₈H₃₅O₂
global charge	-1
mol weight	283.476
InChIKey	QIQXTHQIDYTFRH-UHFFFAOYSA-M
InChI	InChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20)/p-1
SMILES	CCCCCCCCCCCCCCCCCC(=O)[O-]

MNX internals

InChI (mnx)	InChI=1/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20)
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][C:18](=[O:19])[OH:20]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	212
in models (compartimentalized)	98

Similar chemical compounds in external resources
Identifier	Description
CHEBI:25629 chebi:25629 QIQXTHQIDYTFRH-UHFFFAOYSA-M	octadecanoate CH3-[CH2]16-COO(-) Stearate octadecanoic acid, ion(1-) stearate stearic acid, ion(1-)
bigg.metabolite:ocdca biggM:ocdca QIQXTHQIDYTFRH-UHFFFAOYSA-M	Octadecanoate (n-C18:0)
kegg.compound:C01530 keggC:C01530 QIQXTHQIDYTFRH-UHFFFAOYSA-N	Octadecanoic acid Stearate Stearic acid
sabiork.compound:20032 sabiorkM:20032 QIQXTHQIDYTFRH-UHFFFAOYSA-M	Stearate Octadecanoic acid Stearic acid
kegg.drug:D00119 keggD:D00119 QIQXTHQIDYTFRH-UHFFFAOYSA-N	Stearic acid (JP18/NF) Stearic acid (TN)
CHEBI:168383 chebi:168383 QIQXTHQIDYTFRH-UHFFFAOYSA-N	Stearic acid(d3) 18,18,18-trideuteriooctadecanoic acid
lipidmaps:LMFA01010047 lipidmapsM:LMFA01010047 QIQXTHQIDYTFRH-UHFFFAOYSA-N	Stearic acid(d3) Octadecanoic acid(d3)
hmdb:HMDB0000827 QIQXTHQIDYTFRH-UHFFFAOYSA-N	Stearic acid 1-Heptadecanecarboxylate 1-Heptadecanecarboxylic acid 18:0 Acide octadecanoique Acide stearique Aluminum monostearate Aluminum tristearate Ammonium stearate C18:0 CH3-[CH2]16-COOH Calcium stearate FA(18:0) Magnesium stearate N-Octadecanoate N-Octadecanoic acid Octadecanoate Octadecanoic acid Octadecansaeure Octadecoate Octadecoic acid Oktadekansaeure Sodium stearate Stearate Stearex beads Stearic acid cherry Stearinsaeure Stearophanate Stearophanic acid Zinc stearate octadecanoic acid stearic acid
lipidmaps:LMFA01010018 lipidmapsM:LMFA01010018 QIQXTHQIDYTFRH-UHFFFAOYSA-N	Stearic acid Bassinic acid C18:0 Cetylacetic acid FA 18:0 Lactaric acid Octadecanoate Stearate Stearophanic acid Talgic acid n-Octadecanoic acid octadecanoic acid
envipath:...268e3e975364 envipathM:...268e3e975364 QIQXTHQIDYTFRH-UHFFFAOYSA-M	compound 0057002
seed.compound:cpd01080 seedM:cpd01080 QIQXTHQIDYTFRH-UHFFFAOYSA-M	ocdca Octadecanoic acid Stearate Stearic acid octadecanoate octadecanoate (n-C18:0) octadecanoic acid stearate stearic acid
vmhM:ocdca vmhmetabolite:ocdca QIQXTHQIDYTFRH-UHFFFAOYSA-M	octadecanoate (n-C18:0) octadecanoic acid
SLM:000000826 slm:000000826 QIQXTHQIDYTFRH-UHFFFAOYSA-M	octadecanoate Stearate
CHEBI:28842 chebi:28842 QIQXTHQIDYTFRH-UHFFFAOYSA-N	octadecanoic acid 18:0 C18:0 CH3-[CH2]16-COOH Octadecanoic acid Octadecansaeure Oktadekansaeure STEARIC ACID Stearinsaeure acide octadecanoique acide stearique n-octadecanoic acid octadecoic acid stearic acid
envipath:...213c9ccb99ab envipathM:...213c9ccb99ab QIQXTHQIDYTFRH-UHFFFAOYSA-N	peak 4 (Neudosan)
envipath:...96b6726ed216 envipathM:...96b6726ed216 QIQXTHQIDYTFRH-UHFFFAOYSA-N	peak 4 (Neudosan) peak 1-6 (Neudosan)
metacyc.compound:STEARIC_ACID metacycM:STEARIC_ACID QIQXTHQIDYTFRH-UHFFFAOYSA-M	stearate n-C18:0 octadecanoate octadecanoic acid stearic acid
hmdb:HMDB00827 chebi:231588 chebi:25631 chebi:45710 biggM:M_ocdca keggC:M_C01530 keggD:M_D00119 seedM:M_cpd01080 vmhM:M_ocdca	secondary/obsolete/fantasy identifier