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CHEBI:214196 - Arborcandin D

ChEBI IDCHEBI:214196
ChEBI NameArborcandin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC59H103N13O18
Net Charge0
Average Mass1282.546
Monoisotopic Mass1281.75440
SMILESCCCCCCCCCC(O)CCC1NC(=O)C(C(C)O)NC(=O)C(C(C)O)NC(=O)C(CC(O)C(N)=O)NC(=O)C(C)NC(=O)C(CC(N)=O)NC(=O)C(CC(N)=O)NC(=O)C(CCCCCCCC(=O)CCCCCC)NC(=O)CCNC(=O)CNC1=O
InChIInChI=1S/C59H103N13O18/c1-6-8-10-12-13-15-20-24-38(76)26-27-40-53(84)64-33-48(81)63-29-28-47(80)66-39(25-21-17-14-16-19-23-37(75)22-18-11-9-7-2)54(85)69-43(32-46(61)79)56(87)70-42(31-45(60)78)55(86)65-34(3)52(83)68-41(30-44(77)51(62)82)57(88)71-50(36(5)74)59(90)72-49(35(4)73)58(89)67-40/h34-36,38-44,49-50,73-74,76-77H,6-33H2,1-5H3,(H2,60,78)(H2,61,79)(H2,62,82)(H,63,81)(H,64,84)(H,65,86)(H,66,80)(H,67,89)(H,68,83)(H,69,85)(H,70,87)(H,71,88)(H,72,90)
InChIKeyCZQMSPFUTKQPKB-UHFFFAOYSA-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)
Arborcandin D (CHEBI:214196) is a peptide (CHEBI:16670)
IUPAC Name 
3-[5,8-bis(2-amino-2-oxoethyl)-23-(3-hydroxydodecyl)-17,20-bis(1-hydroxyethyl)-11-methyl-3,6,9,12,15,18,21,24,27,31-decaoxo-2-(8-oxotetradecyl)-1,4,7,10,13,16,19,22,25,28-decazacyclohentriacont-14-yl]-2-hydroxypropanamide
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