CHEBI:157814 - His-Met-Cys

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ChEBI Name His-Met-Cys
ChEBI ID CHEBI:157814
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C14H23N5O4S2
Net Charge 0
Average Mass 389.490
Monoisotopic Mass 389.11915
InChI InChI=1S/C14H23N5O4S2/c1-25-3-2-10(13(21)19-11(6-24)14(22)23)18-12(20)9(15)4-8-5-16-7-17-8/h5,7,9-11,24H,2-4,6,15H2,1H3,(H,16,17)(H,18,20)(H,19,21)(H,22,23)/t9-,10-,11-/m0/s1
InChIKey BMZLDCQIWUHVRS-DCAQKATOSA-N
SMILES S(CC[C@H](NC(=O)[C@@H](N)CC=1NC=NC1)C(=O)N[C@@H](CS)C(O)=O)C
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing His-Met-Cys (CHEBI:157814) is a oligopeptide (CHEBI:25676)
IUPAC Name
(2R)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylsulanylbutanoyl]amino]-3-sulanylpropanoic acid