EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:219817 - Fuscachelin C

ChEBI IDCHEBI:219817
ChEBI NameFuscachelin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H62N16O16
Net Charge0
Average Mass1047.054
Monoisotopic Mass1046.45297
SMILESNC(=O)[C@H](CCCN(O)C(=O)[C@H](CO)NC(=O)CNC(=O)CNC(=O)[C@@H](CCCN=C(N)N)NC(=O)c1cccc(O)c1O)NC(=O)CNC(=O)CNC(=O)[C@@H](CCCN=C(N)N)NC(=O)c1cccc(O)c1O
InChIInChI=1S/C42H62N16O16/c43-35(68)23(54-31(64)18-50-29(62)16-52-38(71)24(8-3-13-48-41(44)45)56-36(69)21-6-1-11-27(60)33(21)66)10-5-15-58(74)40(73)26(20-59)55-32(65)19-51-30(63)17-53-39(72)25(9-4-14-49-42(46)47)57-37(70)22-7-2-12-28(61)34(22)67/h1-2,6-7,11-12,23-26,59-61,66-67,74H,3-5,8-10,13-20H2,(H2,43,68)(H,50,62)(H,51,63)(H,52,71)(H,53,72)(H,54,64)(H,55,65)(H,56,69)(H,57,70)(H4,44,45,48)(H4,46,47,49)/t23-,24+,25+,26-/m0/s1
InChIKeyMMPMJMJQRDAXEQ-QUMGSSFMSA-N
Species of MetaboliteComponentSourceComments
Thermobifida fusca (ncbitaxon:2021) - PubMed (18832174)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Fuscachelin C (CHEBI:219817) is a oligopeptide (CHEBI:25676)
IUPAC Name 
N-[(2R)-1-[[2-[[2-[[(2S)-1-amino-5-[[(2S)-2-[[2-[[2-[[(2R)-5-(diaminomethylideneamino)-2-[(2,3-dihydroxybenzoyl)amino]pentanoyl]amino]acetyl]amino]acetyl]amino]-3-hydroxypropanoyl]-hydroxyamino]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2,3-dihydroxybenzamide
Manual XrefsDatabases
78442849ChemSpider