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CHEBI:213213 - Alotamide A

ChEBI IDCHEBI:213213
ChEBI NameAlotamide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H49N3O5S
Net Charge0
Average Mass587.827
Monoisotopic Mass587.33929
SMILESCOC(C)CC1C/C(C)=C/C=C/CC(C)/C=C(\C)C(=O)N2CCC[C@H]2C2=N[C@H](CS2)C(=O)N(C)[C@@H](C(C)C)C(=O)O1
InChIInChI=1S/C32H49N3O5S/c1-20(2)28-32(38)40-25(18-24(6)39-8)17-22(4)13-10-9-12-21(3)16-23(5)30(36)35-15-11-14-27(35)29-33-26(19-41-29)31(37)34(28)7/h9-10,13,16,20-21,24-28H,11-12,14-15,17-19H2,1-8H3/b10-9+,22-13+,23-16+/t21?,24?,25?,26-,27+,28+/m1/s1
InChIKeyNCUIESRBHFXRKK-LLEBMXSWSA-N
Species of MetaboliteComponentSourceComments
Moorena bouillonii (ncbitaxon:207920) - PubMed (19754100)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Alotamide A (CHEBI:213213) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(2S,8E,12E,14E,20S,23S)-17-(2-methoxypropyl)-8,10,15,21-tetramethyl-20-propan-2-yl-18-oxa-25-thia-6,21,26-triazatricyclo[21.2.1.02,6]hexacosa-1(26),8,12,14-tetraene-7,19,22-trione
Manual XrefsDatabases
27024257ChemSpider