CHEBI:201284 - Hoiamide 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 Hoiamide A
ChEBI ID CHEBI:201284
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C44H71N5O10S3
Net Charge 0
Average Mass 926.260
Monoisotopic Mass 925.43631
InChI InChI=1S/C44H71N5O10S3/c1-14-16-23(6)33(51)25(8)36-24(7)29(57-13)17-30-45-28(18-60-30)38-48-44(12,20-61-38)42-49-43(11,19-62-42)41(56)47-31(22(5)15-2)34(52)26(9)39(54)58-35(21(3)4)37(53)46-32(27(10)50)40(55)59-36/h18,21-27,29,31-36,50-52H,14-17,19-20H2,1-13H3,(H,46,53)(H,47,56)/t22-,23+,24-,25-,26+,27+,29-,31-,32-,33-,34-,35-,36-,43+,44+/m0/s1
InChIKey AJORQYDPWJZVAU-KCIYAEAGSA-N
SMILES S1C2=NC(=C1)C=3SC[C@@](N3)(C=4SC[C@@](N4)(C(=O)N[C@H]([C@@H](O)[C@@H](C)C(O[C@H](C(N[C@H](C(O[C@@H]([C@H]([C@H](C2)OC)C)[C@H]([C@@H](O)[C@@H](CCC)C)C)=O)[C@H](O)C)=O)C(C)C)=O)[C@H](CC)C)C)C
Metabolite of Species Details
Lyngbya majuscula (NCBI:txid158786) 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 Hoiamide A (CHEBI:201284) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
(5R,9S,12S,13S,14R,17S,20S,23R,24S,25S)-12-[(2S)-butan-2-yl]-13-hydroxy-20-[(1R)-1-hydroxyethyl]-23-[(2S,3S,4R)-3-hydroxy-4-methylheptan-2-yl]-25-methoxy-5,9,14,24-tetramethyl-17-propan-2-yl-16,22-dioxa-3,7,28-trithia-11,19,30,31,32-pentazatetracyclo[25.2.1.12,5.16,9]dotriaconta-1(29),2(32),6(31),27(30)-tetraene-10,15,18,21-tetrone
Manual Xref Database
25049705 ChemSpider
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