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CHEBI:209778 - Arborcandin E

ChEBI IDCHEBI:209778
ChEBI NameArborcandin E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC60H107N13O18
Net Charge0
Average Mass1298.589
Monoisotopic Mass1297.78570
SMILESCCCCCCCCCCC(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/C60H107N13O18/c1-6-8-10-12-13-14-16-21-25-39(77)27-28-41-54(85)65-34-49(82)64-30-29-48(81)67-40(26-22-18-15-17-20-24-38(76)23-19-11-9-7-2)55(86)70-44(33-47(62)80)57(88)71-43(32-46(61)79)56(87)66-35(3)53(84)69-42(31-45(78)52(63)83)58(89)72-51(37(5)75)60(91)73-50(36(4)74)59(90)68-41/h35-45,50-51,74-78H,6-34H2,1-5H3,(H2,61,79)(H2,62,80)(H2,63,83)(H,64,82)(H,65,85)(H,66,87)(H,67,81)(H,68,90)(H,69,84)(H,70,86)(H,71,88)(H,72,89)(H,73,91)
InChIKeySOVWGDRIJQIPNA-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 E (CHEBI:209778) is a peptide (CHEBI:16670)
IUPAC Name 
3-[5,8-bis(2-amino-2-oxoethyl)-17,20-bis(1-hydroxyethyl)-2-(8-hydroxytetradecyl)-23-(3-hydroxytridecyl)-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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