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

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The Swiss Initiative in Systems Biology

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2,3-Heptanedione

Properties

Image

Occurences in reactions

MNX_ID

MNXM34472

Image of MNXM34472

	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	0

formula

C₇H₁₂O₂

charge

0

mass

128.08373

reference

InChIKey

FJPGAMCQJNLTJC-UHFFFAOYSA-N

InChI

InChI=1S/C7H12O2/c1-3-4-5-7(9)6(2)8/h3-5H2,1-2H3

SMILES

CCCCC(=O)C(C)=O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:88623 chebi:88623	2,3-Heptanedione 2,3-Dioxoheptane Acetyl pentanoyl Acetyl valeryl Benzil-related compound, 47 FEMA 2543 Valerylacetyl heptane-2,3-dione
sabiork.compound:23169 sabiorkM:23169	2,3-Heptanedione
hmdb:HMDB0031476	2,3-Heptanedione 2,3-Dioxoheptane Acetyl pentanoyl Acetyl valeryl Benzil-related compound, 47 FEMA 2543 Heptane-23-dione Valerylacetyl heptane-2,3-dione
lipidmaps:LMFA12000013 lipidmapsM:LMFA12000013	2,3-Heptanedione 2,3-Heptanedione
seed.compound:cpd25552 seedM:cpd25552	2,3-heptanedione Acetyl pentanoyl Acetyl valeryl acetyl pentanoyl acetyl valeryl
metacyc.compound:CPD-9080 metacycM:CPD-9080	2,3-heptanedione acetyl pentanoyl acetyl valeryl
hmdb:HMDB31476 seedM:M_cpd25552	secondary/obsolete/fantasy identifier