Chemical Compound

1csi

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1csi chemical structure
Primary Record

1csi

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
444880
SMILES
CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCCC(=O)O)O
Canonical SMILES
CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(=O)NCCC(=O)NCCCC(=O)O

Names & Synonyms

  • 1csi
  • carboxymethyldethia coenzyme *a
  • AC1L9H1O
  • Carboxymethyldethia Coenzyme A
  • CID444880
  • J1.124.267G
  • Q27458874
  • CMX
  • (3S,5S,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3,5-diphosphanonadecan-19-oic acid 3,5-dioxide (non-preferred name)
  • 4-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]butanoic acid
  • 4-[N-[(2R)-4-(3 -O-Phosphono-5 -adenylyloxyphosphonyloxy)-2-hydroxy-3,3-dimethylbutyryl]-beta-alanylamino]butyric acid
  • 4-{3-[(2R)-3-[({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)methyl]-2-hydroxy-3-methylbutanamido]propanamido}butanoic acid
  • Adenosine 3 -phosphoric acid 5 -[diphosphoric acid P2-[(R)-2,2-dimethyl-3-hydroxy-4-oxo-4-[[3-oxo-3-[(4-oxo-4-hydroxybutyl)amino]propyl]amino]butyl]] ester