CHEBI:203071 - Ulongamide D

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 D
ChEBI ID CHEBI:203071
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C34H49N5O7S
Net Charge 0
Average Mass 671.850
Monoisotopic Mass 671.33527
InChI InChI=1S/C34H49N5O7S/c1-10-11-24-20(6)34(45)46-28(19(4)5)33(44)38(8)26(16-22-12-14-23(40)15-13-22)32(43)39(9)27(18(2)3)30(42)35-21(7)31-37-25(17-47-31)29(41)36-24/h12-15,17-21,24,26-28,40H,10-11,16H2,1-9H3,(H,35,42)(H,36,41)/t20-,21-,24+,26-,27-,28-/m0/s1
InChIKey FRWFEXMWAJIROC-FEHSMJKKSA-N
SMILES S1C2=NC(=C1)C(=O)N[C@@H]([C@@H](C(=O)O[C@@H](C(C)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 D (CHEBI:203071) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
(2S,5S,8S,11S,14S,15R)-8-[(4-hydroxyphenyl)methyl]-2,6,9,14-tetramethyl-5,11-di(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
9127714 ChemSpider
View more database links