CHEBI:201550 - Sporidesmolide II

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ChEBI Name Sporidesmolide II
ChEBI ID CHEBI:201550
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C34H60N4O8
Net Charge 0
Average Mass 652.874
Monoisotopic Mass 652.44111
InChI InChI=1S/C34H60N4O8/c1-14-22(12)26-29(39)35-23(15-17(2)3)33(43)45-27(20(8)9)30(40)36-25(19(6)7)32(42)38(13)24(16-18(4)5)34(44)46-28(21(10)11)31(41)37-26/h17-28H,14-16H2,1-13H3,(H,35,39)(H,36,40)(H,37,41)
InChIKey DLSXAPYFZQNLPN-UHFFFAOYSA-N
SMILES O=C1OC(C(=O)NC(C(=O)NC(C(=O)OC(C(NC(C(N(C1CC(C)C)C)=O)C(C)C)=O)C(C)C)CC(C)C)C(CC)C)C(C)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 Sporidesmolide II (CHEBI:201550) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
(3S,6S,9S,12R,15R,18S)-15-[(2S)-butan-2-yl]-4-methyl-3,12-bis(2-methylpropyl)-6,9,18-tri(propan-2-yl)-1,10-dioxa-4,7,13,16-tetrazacyclooctadecane-2,5,8,11,14,17-hexone
Manual Xref Database
34990052 ChemSpider
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