CHEBI:227112 - Phototemtide B

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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 Phototemtide B
ChEBI ID CHEBI:227112
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C32H49N5O8
Net Charge 0
Average Mass 631.771
Monoisotopic Mass 631.35811
InChI InChI=1S/C32H49N5O8/c1-7-12-22-16-24(39)33-17-25(40)35-26(18(3)4)30(42)34-23(15-21-13-10-9-11-14-21)29(41)37-28(20(6)38)31(43)36-27(19(5)8-2)32(44)45-22/h9-11,13-14,18-20,22-23,26-28,38H,7-8,12,15-17H2,1-6H3,(H,33,39)(H,34,42)(H,35,40)(H,36,43)(H,37,41)/t19-,20+,22+,23+,26-,27-,28-/m0/s1
InChIKey JGKYVFFNFFNSHD-BYWXCQPYSA-N
SMILES O=C1O[C@@H](CC(=O)NCC(=O)N[C@@H](C(C)C)C(N[C@@H](C(N[C@H](C(N[C@H]1[C@H](CC)C)=O)[C@H](O)C)=O)CC2=CC=CC=C2)=O)CCC
Metabolite of Species Details
Photorhabdus (NCBI:txid29487) 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 Phototemtide B (CHEBI:227112) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
(3S,6S,9R,12S,19R)-9-benzyl-3-[(2S)-butan-2-yl]-6-[(1R)-1-hydroxyethyl]-12-propan-2-yl-19-propyl-1-oxa-4,7,10,13,16-pentazacyclononadecane-2,5,8,11,14,17-hexone