CHEBI:212394 - Tripropeptin 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 Tripropeptin E
ChEBI ID CHEBI:212394
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C53H87N11O19
Net Charge 0
Average Mass 1182.337
Monoisotopic Mass 1181.61797
InChI InChI=1S/C53H87N11O19/c1-28(2)16-11-9-7-5-4-6-8-10-12-17-30-26-36(68)59-37(29(3)66)49(77)63-24-15-20-34(63)48(76)62-23-14-19-33(62)44(72)57-31(18-13-22-56-53(54)55)43(71)60-38(41(69)50(78)79)45(73)58-32(27-65)47(75)64-25-21-35(67)40(64)46(74)61-39(52(82)83-30)42(70)51(80)81/h28-35,37-42,65-67,69-70H,4-27H2,1-3H3,(H,57,72)(H,58,73)(H,59,68)(H,60,71)(H,61,74)(H,78,79)(H,80,81)(H4,54,55,56)/t29-,30?,31+,32?,33+,34-,35+,37-,38-,39+,40+,41-,42?/m1/s1
InChIKey WMDXQOHHZMAZFS-XIEMWWMPSA-N
SMILES O=C1OC(CC(=O)N[C@@H](C(=O)N2[C@@H](C(=O)N3[C@H](C(=O)N[C@H](C(N[C@@H](C(NC(C(N4[C@H](C(N[C@H]1C(O)C(=O)O)=O)[C@@H](O)CC4)=O)CO)=O)[C@@H](O)C(=O)O)=O)CCCN=C(N)N)CCC3)CCC2)[C@H](O)C)CCCCCCCCCCCC(C)C
Metabolite of Species Details
Lysobacterspecies BMK333-48F3 (NCBI:txid2867962) 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 Tripropeptin E (CHEBI:212394) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
(2R)-2-[(1R,7S,10S,13R,21S,22S,25S,32R)-25-[carboxy(hydroxy)methyl]-10-[3-(diaminomethylideneamino)propyl]-21-hydroxy-32-[(1R)-1-hydroxyethyl]-16-(hydroxymethyl)-28-(12-methyltridecyl)-2,8,11,14,17,23,26,30,33-nonaoxo-27-oxa-3,9,12,15,18,24,31,34-octazatetracyclo[32.3.0.03,7.018,22]heptatriacontan-13-yl]-2-hydroxyacetic acid
Manual Xref Database
78445343 ChemSpider
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