CHEBI:217185 - Ulongamide C

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 C
ChEBI ID CHEBI:217185
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C36H45N5O7S
Net Charge 0
Average Mass 691.840
Monoisotopic Mass 691.30397
InChI InChI=1S/C36H45N5O7S/c1-7-11-27-21(2)36(47)48-23(4)34(45)41(6)30(19-25-14-16-26(42)17-15-25)35(46)40(5)29(18-24-12-9-8-10-13-24)32(44)37-22(3)33-39-28(20-49-33)31(43)38-27/h8-10,12-17,20-23,27,29-30,42H,7,11,18-19H2,1-6H3,(H,37,44)(H,38,43)/t21-,22+,23+,27-,29+,30?/m1/s1
InChIKey PETFICLABWDIHU-OVYCRQNXSA-N
SMILES S1C2=NC(=C1)C(=O)N[C@@H]([C@H](C(=O)O[C@@H](C)C(N(C(C(N([C@H](C(N[C@H]2C)=O)CC3=CC=CC=C3)C)=O)CC4=CC=C(O)C=C4)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 C (CHEBI:217185) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
(2S,5S,11S,14R,15R)-5-benzyl-8-[(4-hydroxyphenyl)methyl]-2,6,9,11,14-pentamethyl-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
78439859 ChemSpider
View more database links