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

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naphthalene-2-sulfonate

	Properties	Image
MNX_ID	MNXM12428
reference	chebi:25476
formula	C₁₀H₇O₃S
global charge	-1
mol weight	207.23
InChIKey	KVBGVZZKJNLNJU-UHFFFAOYSA-M
InChI	InChI=1S/C10H8O3S/c11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H,11,12,13)/p-1
SMILES	O=S(=O)([O-])C1=CC=C2C=CC=CC2=C1

MNX internals

InChI (mnx)	InChI=1/C10H8O3S/c11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H,11,12,13)
SMILES (mnx)	[CH:1]1=[CH:2][CH:4]=[C:9]2[CH:7]=[C:10]([S:14]([OH:11])(=[O:12])=[O:13])[CH:6]=[CH:5][C:8]2=[CH:3]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:25476 chebi:25476 KVBGVZZKJNLNJU-UHFFFAOYSA-M	naphthalene-2-sulfonate 2-naphthalenesulfonate beta-naphthalenesulfonate naphthalene-2-sulfonate(1-)
hmdb:HMDB0255446 KVBGVZZKJNLNJU-UHFFFAOYSA-N	2-Naphthalenesulfonic acid 2-NAPHTHALENEsulfonate 2-NAPHTHALENEsulphonate 2-NAPHTHALENEsulphonic acid 2-naphthalenesulfonic acid Naphthalene-2-sulfonate Naphthalene-2-sulfonic acid Naphthalene-2-sulphonate Naphthalene-2-sulphonic acid b-Naphthalenesulfonate b-Naphthalenesulfonic acid b-Naphthalenesulphonate b-Naphthalenesulphonic acid b-Naphthylsulfonate b-Naphthylsulfonic acid b-Naphthylsulphonate b-Naphthylsulphonic acid beta-Naphthalenesulfonate beta-Naphthalenesulfonic acid beta-Naphthalenesulphonate beta-Naphthalenesulphonic acid beta-Naphthylsulfonate beta-Naphthylsulfonic acid beta-Naphthylsulphonate beta-Naphthylsulphonic acid beta-naphthalenesulfonate beta-naphthalenesulfonic acid beta-naphthalenesulphonate beta-naphthalenesulphonic acid beta-naphthylsulfonate beta-naphthylsulfonic acid beta-naphthylsulphonate beta-naphthylsulphonic acid naphthalene-2-sulfonic acid
kegg.compound:C16202 keggC:C16202 KVBGVZZKJNLNJU-UHFFFAOYSA-N	2-Naphthalenesulfonic acid Naphthalene-2-sulfonate
envipath:...a2def4272c76 envipathM:...a2def4272c76 KVBGVZZKJNLNJU-UHFFFAOYSA-M	Naphthalene-2-sulfonate
seed.compound:cpd14921 seedM:cpd14921 KVBGVZZKJNLNJU-UHFFFAOYSA-M	Naphthalene-2-sulfonate 2-Naphthalenesulfonic acid
CHEBI:44229 chebi:44229 KVBGVZZKJNLNJU-UHFFFAOYSA-N	naphthalene-2-sulfonic acid 2-NAPHTHALENESULFONIC ACID 2-naphthalenesulfonic acid Naphthalene-2-sulfonate beta-naphthalenesulfonic acid beta-naphthylsulfonic acid naphthalene-2-sulphonic acid
chebi:30894 chebi:44225 keggC:M_C16202 seedM:M_cpd14921	secondary/obsolete/fantasy identifier