CHEBI:220026 - Ll-F07b

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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 Ll-F07b
ChEBI ID CHEBI:220026
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C47H78N10O11
Net Charge 0
Average Mass 959.200
Monoisotopic Mass 958.58515
InChI InChI=1S/C47H78N10O11/c1-28(2)38-43(64)53-34(23-22-32-19-15-14-16-20-32)42(63)57-39(30(4)58)44(65)54-35(24-25-36(48)60)41(62)52-29(3)46(67)68-31(5)40(45(66)56-38)55-37(61)27-33(59)21-17-12-10-8-6-7-9-11-13-18-26-51-47(49)50/h14-16,19-20,28-31,33-35,38-40,58-59H,6-13,17-18,21-27H2,1-5H3,(H2,48,60)(H,52,62)(H,53,64)(H,54,65)(H,55,61)(H,56,66)(H,57,63)(H4,49,50,51)/t29-,30-,31-,33?,34+,35-,38-,39-,40+/m1/s1
InChIKey LNWPOYXBRLLPDK-VFQQSGSDSA-N
SMILES O=C1O[C@@H]([C@H](NC(=O)CC(O)CCCCCCCCCCCCN=C(N)N)C(=O)N[C@@H](C(=O)N[C@@H](CCC2=CC=CC=C2)C(N[C@@H](C(N[C@@H](C(N[C@@H]1C)=O)CCC(=O)N)=O)[C@H](O)C)=O)C(C)C)C
Metabolite of Species Details
Bacillus (NCBI:txid1386) See: DOI
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
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ChEBI Ontology
Outgoing Ll-F07b (CHEBI:220026) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
N-[(3R,6R,9R,12S,15R,18S,19R)-6-(3-amino-3-oxopropyl)-9-[(1R)-1-hydroxyethyl]-3,19-dimethyl-2,5,8,11,14,17-hexaoxo-12-(2-phenylethyl)-15-propan-2-yl-1-oxa-4,7,10,13,16-pentazacyclononadec-18-yl]-15-(diaminomethylideneamino)-3-hydroxypentadecanamide
Manual Xref Database
78442862 ChemSpider
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