EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:197827 - Microcin C51

ChEBI IDCHEBI:197827
ChEBI NameMicrocin C51
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H68N17O19PS
Net Charge0
Average Mass1178.147
Monoisotopic Mass1177.43357
SMILESCSCCC(NC=O)C(=O)NC(CCCN=C(N)N)C(=O)NC(C(=O)NCC(=O)NC(CC(N)=O)C(=O)NC(C)C(=O)NC(CC(=O)NCCCOP(=O)(O)OC[C@H]1O[C@@H](n2cnc3ncncc32)C(O)C1O)C(=O)O)[C@@H](C)ON
InChIInChI=1S/C42H68N17O19PS/c1-20(35(66)57-25(41(71)72)13-29(62)48-9-5-10-75-79(73,74)76-16-27-32(64)33(65)40(77-27)59-18-52-34-26(59)14-47-17-51-34)54-38(69)24(12-28(43)61)55-30(63)15-50-39(70)31(21(2)78-46)58-37(68)23(6-4-8-49-42(44)45)56-36(67)22(53-19-60)7-11-80-3/h14,17-25,27,31-33,40,64-65H,4-13,15-16,46H2,1-3H3,(H2,43,61)(H,48,62)(H,50,70)(H,53,60)(H,54,69)(H,55,63)(H,56,67)(H,57,66)(H,58,68)(H,71,72)(H,73,74)(H4,44,45,49)/t20?,21-,22?,23?,24?,25?,27-,31?,32?,33?,40-/m1/s1
InChIKeyFADUSUVPDLFLTR-ILMTYNHGSA-N
Species of MetaboliteComponentSourceComments
Escherichia coli (ncbitaxon:562) - DOI (10.1016/0014-5793(94)01345-2)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Microcin C51 (CHEBI:197827) is a oligopeptide (CHEBI:25676)
IUPAC Name 
2-[2-[[4-amino-2-[[2-[[(3R)-3-aminooxy-2-[[5-(diaminomethylideneamino)-2-[(2-ormamido-4-methylsulanylbutanoyl)amino]pentanoyl]amino]butanoyl]amino]acetyl]amino]-4-oxobutanoyl]amino]propanoylamino]-4-[3-[[(2R,5R)-3,4-dihydroxy-5-purin-7-yloxolan-2-yl]methoxy-hydroxyphosphoryl]oxypropylamino]-4-oxobutanoic acid
Manual XrefsDatabases
78445644ChemSpider