CHEBI:213213 - Alotamide A

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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 Alotamide A
ChEBI ID CHEBI:213213
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C32H49N3O5S
Net Charge 0
Average Mass 587.820
Monoisotopic Mass 587.33929
InChI InChI=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
InChIKey NCUIESRBHFXRKK-LLEBMXSWSA-N
SMILES S1C2=N[C@H](C1)C(=O)N([C@H](C(=O)OC(CC(C)=CC=CCC(C=C(C(N3[C@H]2CCC3)=O)C)C)CC(OC)C)C(C)C)C
Metabolite of Species Details
Moorena bouillonii (NCBI:txid207920) 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 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 Xref Database
27024257 ChemSpider
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