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CHEBI:219804 - Fuscachelin A

ChEBI IDCHEBI:219804
ChEBI NameFuscachelin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H59N15O16
Net Charge0
Average Mass1030.023
Monoisotopic Mass1029.42642
SMILESNC(N)=NCCC[C@@H](NC(=O)c1cccc(O)c1O)C(=O)NCC(=O)NCC(=O)N[C@H]1CCCN(O)C(=O)[C@@H](NC(=O)CNC(=O)CNC(=O)[C@@H](CCCN=C(N)N)NC(=O)c2cccc(O)c2O)COC1=O
InChIInChI=1S/C42H59N15O16/c43-41(44)47-13-3-8-23(55-35(66)21-6-1-11-27(58)33(21)64)37(68)51-16-29(60)49-18-31(62)53-25-10-5-15-57(72)39(70)26(20-73-40(25)71)54-32(63)19-50-30(61)17-52-38(69)24(9-4-14-48-42(45)46)56-36(67)22-7-2-12-28(59)34(22)65/h1-2,6-7,11-12,23-26,58-59,64-65,72H,3-5,8-10,13-20H2,(H,49,60)(H,50,61)(H,51,68)(H,52,69)(H,53,62)(H,54,63)(H,55,66)(H,56,67)(H4,43,44,47)(H4,45,46,48)/t23-,24-,25+,26+/m1/s1
InChIKeyJCLPEMGCTLBLJE-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 A (CHEBI:219804) is a oligopeptide (CHEBI:25676)
IUPAC Name 
N-[(2R)-5-(diaminomethylideneamino)-1-[[2-[[2-[[(3S,9S)-3-[[2-[[2-[[(2R)-5-(diaminomethylideneamino)-2-[(2,3-dihydroxybenzoyl)amino]pentanoyl]amino]acetyl]amino]acetyl]amino]-5-hydroxy-4,10-dioxo-1,5-oxazecan-9-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-1-oxopentan-2-yl]-2,3-dihydroxybenzamide
Manual XrefsDatabases
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