CHEBI:203299 - Aurilide C

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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 Aurilide C
ChEBI ID CHEBI:203299
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C43H73N5O10
Net Charge 0
Average Mass 820.082
Monoisotopic Mass 819.53574
InChI InChI=1S/C43H73N5O10/c1-17-19-27(10)37-29(12)31(49)21-20-28(11)42(55)57-36(25(7)8)38(51)45-34(24(5)6)40(53)48(16)35(26(9)18-2)41(54)46(14)22-32(50)44-33(23(3)4)39(52)47(15)30(13)43(56)58-37/h19-20,23-26,29-31,33-37,49H,17-18,21-22H2,1-16H3,(H,44,50)(H,45,51)/b27-19+,28-20+/t26-,29+,30+,31+,33+,34+,35+,36-,37-/m1/s1
InChIKey BCIDYWRVGQFMIS-NOZRKBPESA-N
SMILES O=C1O[C@@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N(CC(=O)N[C@H](C(N([C@H](C(O[C@@H]([C@H]([C@H](CC=C1C)O)C)/C(=C/CC)/C)=O)C)C)=O)C(C)C)C)[C@@H](CC)C)C)C(C)C)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 )
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ChEBI Ontology
Outgoing Aurilide C (CHEBI:203299) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
(3S,6S,12S,15S,18R,21E,24S,25S,26S)-12-[(2R)-butan-2-yl]-24-hydroxy-3,4,10,13,21,25-hexamethyl-26-[(E)-pent-2-en-2-yl]-6,15,18-tri(propan-2-yl)-1,19-dioxa-4,7,10,13,16-pentazacyclohexacos-21-ene-2,5,8,11,14,17,20-heptone
Manual Xref Database
9760696 ChemSpider
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