CHEBI:223633 - Arborcandin F

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ChEBI Name Arborcandin F
ChEBI ID CHEBI:223633
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C61H109N13O18
Net Charge 0
Average Mass 1312.616
Monoisotopic Mass 1311.80135
InChI InChI=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)
InChIKey MQIALAPCCCRUBS-UHFFFAOYSA-N
SMILES O=C1NC(C(=O)NC(C(=O)NCC(=O)NCCC(=O)NC(CCCCCCCC(O)CCCCCC)C(NC(C(NC(C(NC(C(NC(C(NC1C(O)C)=O)CC(O)C(=O)N)=O)C)=O)CC(=O)N)=O)CC(=O)N)=O)CCC(O)CCCCCCCCCCC)C(O)C
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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
Manual Xref Database
8052753 ChemSpider
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