MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

Feedback

mitomycin C

	Properties	Image
MNX_ID	MNXM62239
reference	chebi:27504
formula	C₁₅H₁₈N₄O₅
global charge	0
mol weight	334.332
InChIKey	NWIBSHFKIJFRCO-WUDYKRTCSA-N
InChI	InChI=1S/C15H18N4O5/c1-5-9(16)12(21)8-6(4-24-14(17)22)15(23-2)13-7(18-13)3-19(15)10(8)11(5)20/h6-7,13,18H,3-4,16H2,1-2H3,(H2,17,22)/t6-,7+,13+,15-/m1/s1
SMILES	CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1C[C@@H]1N[C@@H]12

MNX internals

InChI (mnx)	InChI=1/C15H18N4O5/c1-5-9(16)12(21)8-6(4-24-14(17)22)15(23-2)13-7(18-13)3-19(15)10(8)11(5)20/h6-7,13,18H,3-4,16H2,1-2H3,(H2,17,22)/t6-,7+,13+,15-/m1/s1
SMILES (mnx)	[CH3:1][C:5]1=[C:9]([NH2:16])[C:12](=[O:21])[C:8]2=[C:10]([C:11]1=[O:20])[N:19]1[CH2:3][C@H:7]3[C@@H:13]([C@:15]1([O:23][CH3:2])[C@@H:6]2[CH2:4][O:24][C:14](=[NH:17])[OH:22])[NH:18]3

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:27504 chebi:27504 NWIBSHFKIJFRCO-WUDYKRTCSA-N	mitomycin C 7-Amino-9alpha-methoxymitosane Ametycine MMC Mitocin-C Mitomycin Mitomycin C Mutamycin [(1aS,8S,8aR,8bS)-6-amino-8a-methoxy-5-methyl-4,7-dioxo-1,1a,2,4,7,8,8a,8b-octahydroazirino[2',3':3,4]pyrrolo[1,2-a]indol-8-yl]methyl carbamate
kegg.drug:D00208 keggD:D00208 NWIBSHFKIJFRCO-WUDYKRTCSA-N	Mitomycin (USP/INN) Jelmyto (TN) MMC Mitomycin (TN) Mitomycin C (JP18) Muamycin (TN)
hmdb:HMDB0014450 NWIBSHFKIJFRCO-WUDYKRTCSA-N	Mitomycin 7-Amino-9a-methoxymitosane 7-Amino-9alpha-methoxymitosane Ametycine MMC Mitamycin Mitocin C Mitocin-C MitocinC Mitomycin C Mitomycin-C Muamycin Mutamycin [(4S,6S,7R,8S)-11-amino-7-methoxy-12-methyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.0²,⁷.0⁴,⁶]trideca-1(9),11-dien-8-yl]methyl carbamate mitomycin c
seed.compound:cpd04082 seedM:cpd04082 kegg.compound:C06681 keggC:C06681 NWIBSHFKIJFRCO-WUDYKRTCSA-N	Mitomycin Mitomycin C
metacyc.compound:CPD-17518 metacycM:CPD-17518 NWIBSHFKIJFRCO-WUDYKRTCSA-N	mitomycin C
hmdb:HMDB14450 chebi:25356 chebi:6953 keggC:M_C06681 keggD:M_D00208 seedM:M_cpd04082	secondary/obsolete/fantasy identifier