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CHEBI:217704 - Arborcandin A

ChEBI IDCHEBI:217704
ChEBI NameArborcandin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC57H101N13O18
Net Charge0
Average Mass1256.508
Monoisotopic Mass1255.73875
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)CCCC)NC(=O)CCNC(=O)CNC1=O
InChIInChI=1S/C57H101N13O18/c1-6-8-10-11-12-14-18-22-36(74)24-25-38-51(82)62-31-46(79)61-27-26-45(78)64-37(23-19-16-13-15-17-21-35(73)20-9-7-2)52(83)67-41(30-44(59)77)54(85)68-40(29-43(58)76)53(84)63-32(3)50(81)66-39(28-42(75)49(60)80)55(86)69-48(34(5)72)57(88)70-47(33(4)71)56(87)65-38/h32-42,47-48,71-75H,6-31H2,1-5H3,(H2,58,76)(H2,59,77)(H2,60,80)(H,61,79)(H,62,82)(H,63,84)(H,64,78)(H,65,87)(H,66,81)(H,67,83)(H,68,85)(H,69,86)(H,70,88)
InChIKeyYALGAPDBNREBKQ-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 A (CHEBI:217704) is a peptide (CHEBI:16670)
IUPAC Name 
3-[5,8-bis(2-amino-2-oxoethyl)-23-(3-hydroxydodecyl)-2-(8-hydroxydodecyl)-17,20-bis(1-hydroxyethyl)-11-methyl-3,6,9,12,15,18,21,24,27,31-decaoxo-1,4,7,10,13,16,19,22,25,28-decazacyclohentriacont-14-yl]-2-hydroxypropanamide
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