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

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phenol

	Properties	Image
MNX_ID	MNXM320
reference	chebi:15882
formula	C₆H₆O
global charge	0
mol weight	94.113
InChIKey	ISWSIDIOOBJBQZ-UHFFFAOYSA-N
InChI	InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H
SMILES	OC1=CC=CC=C1

MNX internals

InChI (mnx)	InChI=1/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H
SMILES (mnx)	[CH:1]1=[CH:2][CH:4]=[C:6]([OH:7])[CH:5]=[CH:3]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	50
in models (compartimentalized)	8

Similar chemical compounds in external resources
Identifier	Description
reactome:R-ALL-158858 reactomeM:R-ALL-158858 reactome:R-ALL-29630 reactomeM:R-ALL-29630 CHEBI:15882 chebi:15882 ISWSIDIOOBJBQZ-UHFFFAOYSA-N	phenol Benzenol Carbolsaeure Hydroxybenzene Karbolsaeure Oxybenzene PHENOL PhOH Phenic acid Phenol Phenylic acid Phenylic alcohol acide carbolique acide phenique carbolic acid
envipath:...5334007766b7 envipathM:...5334007766b7 ISWSIDIOOBJBQZ-UHFFFAOYSA-N	CGA 73330 (Phenol) CGA 73330 Phenol Phenol (CGA 73330)
envipath:...d4779f94b36a envipathM:...d4779f94b36a ISWSIDIOOBJBQZ-UHFFFAOYSA-N	CGA 73330 (Phenol) Phenol (CGA 73330)
bigg.metabolite:phenol biggM:phenol envipath:...667c38a40894 envipathM:...667c38a40894 kegg.compound:C15584 keggC:C15584 ISWSIDIOOBJBQZ-UHFFFAOYSA-N	Phenol
kegg.drug:D00033 keggD:D00033 ISWSIDIOOBJBQZ-UHFFFAOYSA-N	Phenol (JP18/USP) Liquefied phenol (JP18) Liquefied phenol (TN) Paoscle (TN) Phenol (TN) Phenol for disinfection (JP18) Phenol for disinfection (TN) Phenol, liquefied
hmdb:HMDB0000228 ISWSIDIOOBJBQZ-UHFFFAOYSA-N	Phenol Acide carbolique Acide phenique Anbesol Benzenol Benzophenol Campho-phenique cold sore gel Campho-phenique gel Campho-phenique liquid Carbol Carbolate Carbolic acid Carbolic acid liquid Carbolic oil Carbolicum acidum Carbolsaeure Carbolsaure Cepastat lozenges Cuticura pain relieving ointment Fenol Fenolo Fenosmolin Fenosmoline Hydroxy-benzene Hydroxybenzene IPH IZAL Karbolsaeure Liquefied phenol Liquid phenol Liquified phenol Monohydroxy benzene Monohydroxybenzene Monophenol Oxybenzene PHOH Paoscle Phenate Phenic Phenic acid Phenic alcohol Phenol alcohol Phenol for disinfection Phenol homopolymer Phenol liquid Phenol molten Phenol polymer-bound Phenol solution Phenol synthetic Phenol, liquefied Phenol, sodium salt Phenolate sodium Phenolate, sodium Phenolated water Phenolated water for disinfection Phenole Phenosmolin Phenylate Phenylic acid Phenylic alcohol Sodium phenolate Synthetic phenol Tea polyphenol phenol
sabiork.compound:1947 sabiorkM:1947 ISWSIDIOOBJBQZ-UHFFFAOYSA-N	Phenol Aryl alcohol Benzenol Hydroxybenzene Phenic acid Phenylic acid
seed.compound:cpd00127 seedM:cpd00127 ISWSIDIOOBJBQZ-UHFFFAOYSA-N	Phenol Benzenol C15584 Hydroxybenzene PHENOL Phenic acid Phenylic acid carbolic acid phenol phenylalcohol
kegg.compound:C00146 keggC:C00146 ISWSIDIOOBJBQZ-UHFFFAOYSA-N	Phenol Benzenol Hydroxybenzene Phenic acid Phenylic acid
vmhM:phenol vmhmetabolite:phenol ISWSIDIOOBJBQZ-UHFFFAOYSA-N	Phenol phenol
envipath:...6d10935afeaa envipathM:...6d10935afeaa ISWSIDIOOBJBQZ-UHFFFAOYSA-N	compound 0000137
envipath:...512efd6d36b7 envipathM:...512efd6d36b7 ISWSIDIOOBJBQZ-UHFFFAOYSA-N	compound 0037911
envipath:...3922fb588bb0 envipathM:...3922fb588bb0 ISWSIDIOOBJBQZ-UHFFFAOYSA-M	compound 0042286
CHEBI:50526 chebi:50526 ISWSIDIOOBJBQZ-UHFFFAOYSA-M	phenolate Phenol ion Phenoxy ion phenoxide anion
metacyc.compound:PHENOL metacycM:PHENOL ISWSIDIOOBJBQZ-UHFFFAOYSA-N	phenol carbolic acid phenylalcohol
hmdb:HMDB00228 chebi:14777 chebi:25966 chebi:43543 chebi:8071 biggM:M_phenol keggC:M_C00146 keggC:M_C15584 keggD:M_D00033 seedM:M_cpd00127 vmhM:M_phenol	secondary/obsolete/fantasy identifier