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CHEBI:219810 - Fuscachelin B

ChEBI IDCHEBI:219810
ChEBI NameFuscachelin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H61N15O17
Net Charge0
Average Mass1048.038
Monoisotopic Mass1047.43699
SMILESNC(N)=NCCC[C@@H](NC(=O)c1cccc(O)c1O)C(=O)NCC(=O)NCC(=O)N[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)C(=O)O
InChIInChI=1S/C42H61N15O17/c43-41(44)47-13-3-8-23(55-35(67)21-6-1-11-27(59)33(21)65)37(69)51-16-29(61)49-18-31(63)53-25(40(72)73)10-5-15-57(74)39(71)26(20-58)54-32(64)19-50-30(62)17-52-38(70)24(9-4-14-48-42(45)46)56-36(68)22-7-2-12-28(60)34(22)66/h1-2,6-7,11-12,23-26,58-60,65-66,74H,3-5,8-10,13-20H2,(H,49,61)(H,50,62)(H,51,69)(H,52,70)(H,53,63)(H,54,64)(H,55,67)(H,56,68)(H,72,73)(H4,43,44,47)(H4,45,46,48)/t23-,24-,25+,26+/m1/s1
InChIKeyRCJSTCNOAKCESX-XPGKHFPBSA-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 B (CHEBI:219810) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(2S)-2-[[2-[[2-[[(2R)-5-(diaminomethylideneamino)-2-[(2,3-dihydroxybenzoyl)amino]pentanoyl]amino]acetyl]amino]acetyl]amino]-5-[[(2S)-2-[[2-[[2-[[(2R)-5-(diaminomethylideneamino)-2-[(2,3-dihydroxybenzoyl)amino]pentanoyl]amino]acetyl]amino]acetyl]amino]-3-hydroxypropanoyl]-hydroxyamino]pentanoic acid
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