adenylo-succinate

Chemical Formula:

C₁₄H₁₄N₅O₁₁P

Molecular Weight:

459.265 Daltons

Monoisotopic Mass:

463.0740429569 Daltons

SMILES:

C(OP(=O)([O-])[O-])C1(OC(C(O)C(O)1)N3(C=NC2(C(=NC=NC=23)NC(CC(=O)[O-])C(=O)[O-])))

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)/p-4/t5?,6-,9-,10-,13-/m1/s1

InChIKey:

OFBHPPMPBOJXRT-DPXQIYNJSA-J

Synonyms

N⁶-(1,2-dicarboxyethyl)-AMP
adenylo-succ

Databases

MetaCyc: ADENYLOSUCC

RefMet: Adenylsuccinic acid

BiGG: dcamp

ChEBI: 57567

PubChem (CID): 46878398 440122

MetaboLights: MTBLC57567

HMDB: HMDB00536

KEGG: C03794

CAS: 19240-42-7

Reactome: 35141

Seed: cpd02375

MetaNetX: MNXM565