(Q2823236)

Adenylsuccinic acid (English)

4 October 2016

chemical formula

C₁₄H₁₈N₅O₁₁P

1 reference

Adenylsuccinic acid (English)

4 October 2016

canonical SMILES

C1=NC2=C(C(=N1)NC(CC(=O)O)C(=O)O)N=CN2C3C(C(C(O3)COP(=O)(O)O)O)O

1 reference

Adenylsuccinic acid (English)

4 October 2016

isomeric SMILES

C1=NC2=C(C(=N1)NC(CC(=O)O)C(=O)O)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O

1 reference

Recon 2.2: from reconstruction to model of human metabolism

Adenylsuccinic acid (English)

4 October 2016

2 references

stated in

A community-driven global reconstruction of human metabolism.

Caenorhabditis elegans

1 reference

stated in

Modeling Meets Metabolomics-The WormJam Consensus Model as Basis for Metabolic Studies in the Model Organism

Identifiers

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

1 reference

Adenylsuccinic acid (English)

OFBHPPMPBOJXRT-DPXQIYNJSA-N

4 October 2016

InChIKey

2 references

Adenylsuccinic acid (English)

reason for deprecated rank

4 October 2016

stated in

ChEBI release 2020-09-01

CAS Registry Number

19046-78-7

applies to other chemical entity

1 reference

N(6)-(1,2-dicarboxyethyl)-AMP (English)

4 October 2016

1 reference

1 reference

2-[(9-{(2R,3R,4S,5R)-3,4-Dihydroxy-5-[(phosphonooxy)methyl]tetrahydro-2-furanyl}-9H-purin-6-yl)amino]succinic acid (English)

4 October 2016

1 reference

Adenylsuccinic acid (English)

4 October 2016

Reaxys registry number

71618

1 reference

N(6)-(1,2-dicarboxyethyl)-AMP (English)

4 October 2016

ChEBI ID

15919

mapping relation type

1 reference

N(6)-(1,2-dicarboxyethyl)-AMP (English)

4 October 2016

1 reference

splash10-0ik9-0040900000-b82cfa15a82a71e3a806

CHEMBL1812061 (English)

4 October 2016

1 reference

0 references

splash10-03du-0920000000-f57e5dc2c827d4094209

0 references

Human Metabolome Database ID

0 references

1 reference