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CHEBI:223633 - Arborcandin F

ChEBI IDCHEBI:223633
ChEBI NameArborcandin F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC61H109N13O18
Net Charge0
Average Mass1312.616
Monoisotopic Mass1311.80135
SMILESCCCCCCCCCCCC(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/C61H109N13O18/c1-6-8-10-12-13-14-15-17-22-26-40(78)28-29-42-55(86)66-35-50(83)65-31-30-49(82)68-41(27-23-19-16-18-21-25-39(77)24-20-11-9-7-2)56(87)71-45(34-48(63)81)58(89)72-44(33-47(62)80)57(88)67-36(3)54(85)70-43(32-46(79)53(64)84)59(90)73-52(38(5)76)61(92)74-51(37(4)75)60(91)69-42/h36-46,51-52,75-79H,6-35H2,1-5H3,(H2,62,80)(H2,63,81)(H2,64,84)(H,65,83)(H,66,86)(H,67,88)(H,68,82)(H,69,91)(H,70,85)(H,71,87)(H,72,89)(H,73,90)(H,74,92)
InChIKeyMQIALAPCCCRUBS-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 F (CHEBI:223633) is a peptide (CHEBI:16670)
IUPAC Name 
3-[5,8-bis(2-amino-2-oxoethyl)-17,20-bis(1-hydroxyethyl)-23-(3-hydroxytetradecyl)-2-(8-hydroxytetradecyl)-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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