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alliin

PropertiesImage
MNX_IDMNXM10635 Image of MNXM10635
referencechebi:132987
formulaC6H11NO3S
global charge0
mol weight177.225
InChIKeyXUHLIQGRKRUKPH-DYEAUMGKSA-N
InChIInChI=1S/C6H11NO3S/c1-2-3-11(10)4-5(7)6(8)9/h2,5H,1,3-4,7H2,(H,8,9)/t5-,11-/m0/s1
SMILESC=CC[S@](=O)C[C@H]([NH3+])C(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C6H11NO3S/c1-2-3-11(10)4-5(7)6(8)9/h2,5H,1,3-4,7H2,(H,8,9)/t5-,11-/m0/s1 Image of MNXM10635
SMILES (mnx)[CH2:1]=[CH:2][CH2:3][S@@:11]([CH2:4][C@@H:5]([C:6](=[O:8])[OH:9])[NH2:7])=[O:10]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:132987
chebi:132987
XUHLIQGRKRUKPH-DYEAUMGKSA-N 		alliin
(2R)-2-azaniumyl-3-[(S)-prop-2-ene-1-sulfinyl]propanoate
alliin zwitterion

CHEBI:182413
chebi:182413
XUHLIQGRKRUKPH-ITZCMCNPSA-N 		3-(Allylsulphinyl)-L-alanine
(2R)-2-amino-3-prop-2-enylsulinylpropanoic acid

kegg.compound:C08265
keggC:C08265
XUHLIQGRKRUKPH-ITZCMCNPSA-N 		Alliin

seed.compound:cpd05181
seedM:cpd05181
XUHLIQGRKRUKPH-ITZCMCNPSA-N 		Alliin
(+)-L-Alliin
(+)-L-alliin
(S)-3-(Allylsulphinyl)-L-alanine
(S)-3-(allylsulphinyl)-L-alanine
(S)-S-Allyl-L-cysteine sulfoxide
(S)-S-allyl-L-cysteine sulfoxide
(S)-allyl-L-cystein-S-oxid
3-(Allylsulfinyl)alanin
3-(allylsulfinyl)alanin
ACSO
S-Allyl-L-cystein-S-oxid
alliin
hmdb:HMDB0301759
XUHLIQGRKRUKPH-ITZCMCNPSA-N 		Alliin
(2R)-2-Amino-3-(prop-2-ene-1-sulfinyl)propanoate
(2R)-2-Amino-3-(prop-2-ene-1-sulphinyl)propanoate
(2R)-2-Amino-3-(prop-2-ene-1-sulphinyl)propanoic acid
(2R)-2-amino-3-(prop-2-ene-1-sulfinyl)propanoic acid
3-(allylsulfinyl)alanin
Alliin, (L-ala)-(R)-isomer
Alliin, (L-ala)-(S)-isomer
Alliin, (L-ala)-isomer
Isoalliin
PCSO
S-(2-Propenyl)cysteine sulfoxide
S-Allylcysteine sulfoxide

CHEBI:2596
chebi:2596
XUHLIQGRKRUKPH-DYEAUMGKSA-N 		alliin
(+)-L-Alliin
(S)-3-(Allylsulphinyl)-L-alanine
(S)-S-Allyl-L-cysteine sulfoxide
3-(Allylsulfinyl)alanine
3-[(S)-prop-2-ene-1-sulfinyl]-L-alanine
Alliin
S-Allyl-L-cystein-S-oxide
S-allyl-L-cysteine sulfoxide

metacyc.compound:CPD-9269
metacycM:CPD-9269
XUHLIQGRKRUKPH-DYEAUMGKSA-N 		alliin
(+)-L-alliin
(S)-3-(allylsulphinyl)-L-alanine
(S)-S-allyl-L-cysteine sulfoxide
(S)-allyl-L-cystein-S-oxide
3-(allylsulfinyl)alanin

keggC:M_C08265
seedM:M_cpd05181 		secondary/obsolete/fantasy identifier