CHEBI:211782 - Ulongamide E

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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 Ulongamide E
ChEBI ID CHEBI:211782
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C35H51N5O7S
Net Charge 0
Average Mass 685.880
Monoisotopic Mass 685.35092
InChI InChI=1S/C35H51N5O7S/c1-10-12-25-21(6)35(46)47-29(20(5)11-2)34(45)39(8)27(17-23-13-15-24(41)16-14-23)33(44)40(9)28(19(3)4)31(43)36-22(7)32-38-26(18-48-32)30(42)37-25/h13-16,18-22,25,27-29,41H,10-12,17H2,1-9H3,(H,36,43)(H,37,42)/t20-,21-,22-,25+,27-,28-,29-/m0/s1
InChIKey WTSNBJFZSIXNHV-QPJFRRSWSA-N
SMILES S1C2=NC(=C1)C(=O)N[C@@H]([C@@H](C(=O)O[C@@H]([C@H](CC)C)C(N([C@H](C(N([C@H](C(N[C@H]2C)=O)C(C)C)C)=O)CC3=CC=C(O)C=C3)C)=O)C)CCC
Metabolite of Species Details
Lyngbya (NCBI:txid28073) 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 Ulongamide E (CHEBI:211782) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
(2S,5S,8S,11S,14S,15R)-11-[(2S)-butan-2-yl]-8-[(4-hydroxyphenyl)methyl]-2,6,9,14-tetramethyl-5-propan-2-yl-15-propyl-12-oxa-20-thia-3,6,9,16,21-pentazabicyclo[16.2.1]henicosa-1(21),18-diene-4,7,10,13,17-pentone
Manual Xref Database
10197024 ChemSpider
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