CHEBI:198350 - Arborcandin B

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Arborcandin B
ChEBI ID CHEBI:198350
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C58H103N13O18
Net Charge 0
Average Mass 1270.535
Monoisotopic Mass 1269.75440
InChI InChI=1S/C58H103N13O18/c1-6-8-10-11-12-14-19-23-37(75)25-26-39-52(83)63-32-47(80)62-28-27-46(79)65-38(24-20-16-13-15-18-22-36(74)21-17-9-7-2)53(84)68-42(31-45(60)78)55(86)69-41(30-44(59)77)54(85)64-33(3)51(82)67-40(29-43(76)50(61)81)56(87)70-49(35(5)73)58(89)71-48(34(4)72)57(88)66-39/h33-43,48-49,72-76H,6-32H2,1-5H3,(H2,59,77)(H2,60,78)(H2,61,81)(H,62,80)(H,63,83)(H,64,85)(H,65,79)(H,66,88)(H,67,82)(H,68,84)(H,69,86)(H,70,87)(H,71,89)
InChIKey VZFZGDKKOUEQOZ-UHFFFAOYSA-N
SMILES O=C1NC(C(=O)NC(C(=O)NCC(=O)NCCC(=O)NC(CCCCCCCC(O)CCCCC)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)CCCCCCCCC)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 )
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ChEBI Ontology
Outgoing Arborcandin B (CHEBI:198350) is a peptide (CHEBI:16670)
IUPAC Name
3-[5,8-bis(2-amino-2-oxoethyl)-23-(3-hydroxydodecyl)-17,20-bis(1-hydroxyethyl)-2-(8-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
Manual Xref Database
8052701 ChemSpider
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