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CHEBI:201549 - Sporidesmolide I

ChEBI IDCHEBI:201549
ChEBI NameSporidesmolide I
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SubmitterMetaboLights
DownloadsMolfile
FormulaC33H58N4O8
Net Charge0
Average Mass638.847
Monoisotopic Mass638.42546
SMILESCC(C)CC1NC(=O)C(C(C)C)NC(=O)C(C(C)C)OC(=O)C(CC(C)C)N(C)C(=O)C(C(C)C)NC(=O)C(C(C)C)OC1=O
InChIInChI=1S/C33H58N4O8/c1-16(2)14-22-32(42)44-26(20(9)10)30(40)36-25(19(7)8)31(41)37(13)23(15-17(3)4)33(43)45-27(21(11)12)29(39)35-24(18(5)6)28(38)34-22/h16-27H,14-15H2,1-13H3,(H,34,38)(H,35,39)(H,36,40)
InChIKeyVDFMWZBFYMHHDB-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Sporidesmolide I (CHEBI:201549) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(3S,6S,9S,12R,15R,18S)-4-methyl-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
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