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CHEBI:80022 - Arthrofactin

ChEBI IDCHEBI:80022
ChEBI NameArthrofactin
Stars
DownloadsMolfile
FormulaC64H111N11O20
Net Charge0
Average Mass1354.649
Monoisotopic Mass1353.80068
SMILES[H][C@]1([C@H](C)O)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](CC(C)C)NC(=O)CC(CCCCCCC)OC(=O)[C@H](CC(=O)O)NC(=O)[C@]([H])([C@@H](C)CC)NC(=O)[C@]([H])([C@@H](C)CC)NC(=O)[C@@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CO)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC1=O
InChIInChI=1S/C64H111N11O20/c1-15-18-19-20-21-22-39-27-48(79)65-40(23-32(4)5)54(84)68-44(28-49(80)81)58(88)75-53(38(14)78)63(93)69-43(26-35(10)11)55(85)66-41(24-33(6)7)56(86)71-46(30-76)59(89)67-42(25-34(8)9)57(87)72-47(31-77)60(90)73-52(37(13)17-3)62(92)74-51(36(12)16-2)61(91)70-45(29-50(82)83)64(94)95-39/h32-47,51-53,76-78H,15-31H2,1-14H3,(H,65,79)(H,66,85)(H,67,89)(H,68,84)(H,69,93)(H,70,91)(H,71,86)(H,72,87)(H,73,90)(H,74,92)(H,75,88)(H,80,81)(H,82,83)/t36-,37-,38-,39?,40+,41+,42-,43+,44+,45-,46+,47+,51-,52-,53+/m0/s1
InChIKeyHXMCERBOSXQYRH-KSVGBCIHSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Arthrofactin (CHEBI:80022) is a polypeptide (CHEBI:15841)
Manual XrefsDatabases
C15686KEGG COMPOUND
Registry NumbersSources
CAS:152406-36-5KEGG COMPOUND