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CHEBI:231227 - 7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C

ChEBI IDCHEBI:231227
ChEBI Name7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H34N6O8S2
Net Charge0
Average Mass598.704
Monoisotopic Mass598.18795
SMILESCO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(C)=C(NCCSSCCNC(=O)CC[C@H](N)C(=O)O)C3=O)N1C[C@@H]1N[C@@H]12
InChIInChI=1S/C24H34N6O8S2/c1-11-17(28-6-8-40-39-7-5-27-15(31)4-3-13(25)22(34)35)20(33)16-12(10-38-23(26)36)24(37-2)21-14(29-21)9-30(24)18(16)19(11)32/h12-14,21,28-29H,3-10,25H2,1-2H3,(H2,26,36)(H,27,31)(H,34,35)/t12-,13+,14+,21+,24-/m1/s1
InChIKeyBIOSTZMAOGCGSC-CYUGEGSCSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
Roles Classification
Biological Roles:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
intercalator  A role played by a chemical agent which exhibits the capability of occupying space between DNA base pairs due to particular properties in size, shape and charge. Intercalation of chemical compounds in DNA helix can result in replication errors (shift, mutation) or DNA damages.
ChEBI Ontology
Outgoing Relation(s)
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C (CHEBI:231227) is a mitomycin (CHEBI:25357)
IUPAC Name 
(2S)-2-amino-5-[2-[2-[[(4S,6S,7R,8S)-8-(carbamoyloxymethyl)-7-methoxy-12-methyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-11-yl]amino]ethyldisulanyl]ethylamino]-5-oxopentanoic acid
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97237ChemSpider