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D-cystathionine

PropertiesImage
MNX_IDMNXM729663 Image of MNXM729663
referencemetacycM:CPD0-1563
formulaC7H14N2O4S
global charge0
mol weight222.266
InChIKeyILRYLPWNYFXEMH-RFZPGFLSSA-N
InChIInChI=1S/C7H14N2O4S/c8-4(6(10)11)1-2-14-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)/t4-,5-/m1/s1
SMILES[NH3+][C@H](CCSC[C@@H]([NH3+])C(=O)[O-])C(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C7H14N2O4S/c8-4(6(10)11)1-2-14-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)/t4-,5-/m1/s1 Image of MNXM729663
SMILES (mnx)[CH2:1]([CH2:2][S:14][CH2:3][C@H:5]([C:7](=[O:12])[OH:13])[NH2:9])[C@H:4]([C:6](=[O:10])[OH:11])[NH2:8]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)10
in models (compartimentalized) 5
Similar chemical compounds in external resources
IdentifierDescription

metacyc.compound:CPD0-1563
metacycM:CPD0-1563
ILRYLPWNYFXEMH-RFZPGFLSSA-N 		D-cystathionine

seed.compound:cpd00424
seedM:cpd00424
ILRYLPWNYFXEMH-RFZPGFLSSA-N 		Cystathionine
D-allocystathionine
D-cystathionine

seedM:M_cpd00424 		secondary/obsolete/fantasy identifier