CHEBI:215884 - Colisporifungin

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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 Colisporifungin
ChEBI ID CHEBI:215884
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C47H66N8O10
Net Charge 0
Average Mass 903.091
Monoisotopic Mass 902.49019
InChI InChI=1S/C47H66N8O10/c1-3-4-5-6-7-8-9-10-14-21-40(58)51-35(22-23-39(48)57)43(60)55-42-30(2)65-47(64)37(26-31-17-12-11-13-18-31)53-45(62)38(29-56)54-44(61)36(52-41(59)24-25-49-46(42)63)27-32-28-50-34-20-16-15-19-33(32)34/h11-13,15-20,28,30,35-38,42,50,56H,3-10,14,21-27,29H2,1-2H3,(H2,48,57)(H,49,63)(H,51,58)(H,52,59)(H,53,62)(H,54,61)(H,55,60)/t30-,35+,36-,37-,38+,42+/m1/s1
InChIKey IYDPPFXSKSVCFU-OKQHFOSFSA-N
SMILES O=C1O[C@@H]([C@H](NC(=O)[C@@H](NC(=O)CCCCCCCCCCC)CCC(=O)N)C(=O)NCCC(=O)N[C@@H](C(N[C@H](C(N[C@@H]1CC2=CC=CC=C2)=O)CO)=O)CC=3C4=C(C=CC=C4)NC3)C
Metabolite of Species Details
Colispora cavincola (NCBI:txid2074856) See: PubMed
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 Colisporifungin (CHEBI:215884) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
(2S)-N-[(3R,6S,9R,16S,17R)-3-benzyl-6-(hydroxymethyl)-9-(1H-indol-3-ylmethyl)-17-methyl-2,5,8,11,15-pentaoxo-1-oxa-4,7,10,14-tetrazacycloheptadec-16-yl]-2-(dodecanoylamino)pentanediamide
Manual Xref Database
59005688 ChemSpider
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