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CHEBI:67009 - S-adenosyl-L-homocysteinate

ChEBI IDCHEBI:67009
ChEBI NameS-adenosyl-L-homocysteinate
Stars
ASCII NameS-adenosyl-L-homocysteinate
DefinitionA L-α-amino acid anion obtained by deprotonation of S-adenosyl-L-homocysteine.
Last Modified17 June 2014
Submitternamrata
DownloadsMolfile
FormulaC14H19N6O5S
Net Charge-1
Average Mass383.410
Monoisotopic Mass383.11431
SMILESNc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)[O-])[C@@H](O)[C@H]1O
InChIInChI=1S/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/p-1/t6-,7+,9+,10+,13+/m0/s1
InChIKeyZJUKTBDSGOFHSH-WFMPWKQPSA-M
Roles Classification
Biological Role:
fundamental metabolite  Any metabolite produced by all living cells.
ChEBI Ontology
Outgoing Relation(s)
S-adenosyl-L-homocysteinate (CHEBI:67009) has role fundamental metabolite (CHEBI:78675)
S-adenosyl-L-homocysteinate (CHEBI:67009) is a L-α-amino acid anion (CHEBI:59814)
S-adenosyl-L-homocysteinate (CHEBI:67009) is conjugate base of S-adenosyl-L-homocysteine (CHEBI:16680)
Incoming Relation(s)
S-adenosyl-L-homocysteine (CHEBI:16680) is conjugate acid of S-adenosyl-L-homocysteinate (CHEBI:67009)
IUPAC Name 
5'-S-[(3S)-3-amino-3-carboxylatopropyl]-5'-thioadenosine