CHEBI:212941 - Sporidesmolide-III

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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 Sporidesmolide-III
ChEBI ID CHEBI:212941
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C32H56N4O8
Net Charge 0
Average Mass 624.820
Monoisotopic Mass 624.40981
InChI InChI=1S/C32H56N4O8/c1-15(2)13-21-31(41)43-25(19(9)10)29(39)36-24(18(7)8)28(38)34-22(14-16(3)4)32(42)44-26(20(11)12)30(40)35-23(17(5)6)27(37)33-21/h15-26H,13-14H2,1-12H3,(H,33,37)(H,34,38)(H,35,40)(H,36,39)
InChIKey UCQPBOFHICXBCU-UHFFFAOYSA-N
SMILES O=C1OC(C(=O)NC(C(=O)NC(C(=O)OC(C(NC(C(NC1CC(C)C)=O)C(C)C)=O)C(C)C)CC(C)C)C(C)C)C(C)C
Metabolite of Species Details
Pithomyces chartarum (NCBI:txid1547544) See: DOI
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 Sporidesmolide-III (CHEBI:212941) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
3,12-bis(2-methylpropyl)-6,9,15,18-tetra(propan-2-yl)-1,10-dioxa-4,7,13,16-tetrazacyclooctadecane-2,5,8,11,14,17-hexone
Manual Xref Database
78444731 ChemSpider
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