N(6)-(1,2-dicarboxyethyl)-AMP (CHEBI:15919)

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CHEBI:15919 - N⁶-(1,2-dicarboxyethyl)-AMP

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ChEBI ID	CHEBI:15919
ChEBI Name	N⁶-(1,2-dicarboxyethyl)-AMP
Stars
ASCII Name	N(6)-(1,2-dicarboxyethyl)-AMP
Definition	The N⁶-(1,2-dicarboxyethyl) derivative of adenosine 5'-monophosphate.
Secondary ChEBI IDs	CHEBI:7405, CHEBI:12656, CHEBI:12657, CHEBI:21857, CHEBI:39869
Last Modified	27 January 2016
Downloads	Molfile

Formula	C14H18N5O11P
Net Charge	0
Average Mass	463.296
Monoisotopic Mass	463.07404
SMILES	O=C(O)CC(Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O)C(=O)O
InChI	InChI=1S/C14H18N5O11P/c20-7(21)1-5(14(24)25)18-11-8-12(16-3-15-11)19(4-17-8)13-10(23)9(22)6(30-13)2-29-31(26,27)28/h3-6,9-10,13,22-23H,1-2H2,(H,20,21)(H,24,25)(H,15,16,18)(H2,26,27,28)/t5?,6-,9-,10-,13-/m1/s1
InChIKey	OFBHPPMPBOJXRT-DPXQIYNJSA-N

Species of Metabolite	Component	Source	Comments
Escherichia coli (ncbitaxon:562)	-	PubMed (21988831)
Mus musculus (ncbitaxon:10090)	-	PubMed (19425150)	Source: BioModels - MODEL1507180067

Roles Classification

Biological Role:

fundamental metabolite Any metabolite produced by all living cells.

ChEBI Ontology

Outgoing Relation(s)
	N⁶-(1,2-dicarboxyethyl)-AMP (CHEBI:15919) has functional parent adenosine 5'-monophosphate (CHEBI:16027)
	N⁶-(1,2-dicarboxyethyl)-AMP (CHEBI:15919) has functional parent succinic acid (CHEBI:15741)
	N⁶-(1,2-dicarboxyethyl)-AMP (CHEBI:15919) has role fundamental metabolite (CHEBI:78675)
	N⁶-(1,2-dicarboxyethyl)-AMP (CHEBI:15919) is a purine ribonucleoside 5'-monophosphate (CHEBI:37021)
	N⁶-(1,2-dicarboxyethyl)-AMP (CHEBI:15919) is conjugate acid of N⁶-(1,2-dicarboxylatoethyl)-AMP(4−) (CHEBI:57567)
Incoming Relation(s)
Incoming Relation(s)	N⁶-(1,2-dicarboxylatoethyl)-AMP(4−) (CHEBI:57567) is conjugate base of N⁶-(1,2-dicarboxyethyl)-AMP (CHEBI:15919)

IUPAC Name
N-[9-(5-O-phosphono-β-D-ribofuranosyl)-9H-purin-6-yl]aspartic acid

Synonyms	Source
N6-(1,2-Dicarboxyethyl)-AMP	KEGG COMPOUND
Adenylosuccinate	KEGG COMPOUND
Adenylosuccinic acid	KEGG COMPOUND
N6-(1,2-dicarboxyethyl)-AMP	ChEBI
aspartyl adenylate	ChEBI

Manual Xrefs	Databases
C03794	KEGG COMPOUND
C03794	KEGG COMPOUND
DB04418	DrugBank
HMDB0059653	HMDB
C00007229	KNApSAcK
2SA	PDBeChem
YMDB00871	YMDB
ECMDB01332	ECMDB

Registry Numbers	Sources
Reaxys:71618	Reaxys
CAS:19046-78-7	KEGG COMPOUND
CAS:19046-78-7	ChemIDplus

Citations