skip to main content

Content language

Contact us: CRM@email.irandoc.ac.ir

Concept information

Preferred term

(3s)-citramalyl-coa  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

alt_id

  • CHEBI:10890
  • CHEBI:18571
  • CHEBI:215

charge

  • 0

formula

  • C26H42N7O20P3S

has_functional_parent

inchi

  • InChI=1S/C26H42N7O20P3S/c1-25(2,19(37)22(38)29-5-4-14(34)28-6-7-57-15(35)8-26(3,41)24(39)40)10-50-56(47,48)53-55(45,46)49-9-13-18(52-54(42,43)44)17(36)23(51-13)33-12-32-16-20(27)30-11-31-21(16)33/h11-13,17-19,23,36-37,41H,4-10H2,1-3H3,(H,28,34)(H,29,38)(H,39,40)(H,45,46)(H,47,48)(H2,27,30,31)(H2,42,43,44)/t13-,17-,18-,19+,23-,26+/m1/s1

inchikey

  • XYGOWHUIVNMEIA-XBVYHAPZSA-N

is_conjugate_acid_of

mass

  • 897.63414

monoisotopicmass

  • 897.14182

smiles

  • CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C[C@](C)(O)C(O)=O

subset

  • 3_STAR

synonym EXACT

  • 3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(3S)-3-carboxy-3-hydroxybutanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
  • (3S)-Citramalyl-CoA

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:36882

Download this concept: