CHEBI:202636 - Kutzneride 6

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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 Kutzneride 6
ChEBI ID CHEBI:202636
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C37H47Cl2N7O13
Net Charge 0
Average Mass 868.720
Monoisotopic Mass 867.26089
InChI InChI=1S/C37H47Cl2N7O13/c1-35(2,3)27-32(55)46-19(10-15(47)13-40-46)29(52)41-18(14-58-5)28(51)42-25(21(48)11-22(49)50)31(54)45-20(30(53)44-26(33(56)59-27)36(4)8-9-36)12-37(57)16-6-7-17(38)23(39)24(16)43-34(37)45/h6-7,13,15,18-21,25-27,34,43,47-48,57H,8-12,14H2,1-5H3,(H,41,52)(H,42,51)(H,44,53)(H,49,50)/t15?,18-,19-,20-,21+,25+,26-,27+,34-,37+/m0/s1
InChIKey ZIRIUMCQSORLJA-RMDRTFJASA-N
SMILES ClC1=C(Cl)C=CC2=C1N[C@H]3N4C(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H]5N(N=CC(C5)O)C([C@@H](OC([C@H](NC([C@@H]4C[C@@]23O)=O)C6(CC6)C)=O)C(C)(C)C)=O)COC)[C@H](O)CC(=O)O
Metabolite of Species Details
Kutzneriaspecies 744 (NCBI:txid345341) 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 Kutzneride 6 (CHEBI:202636) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
(3R)-3-[(1S,4R,7S,14S,17S,20R,23S,31R)-7-tert-butyl-26,27-dichloro-12,31-dihydroxy-17-(methoxymethyl)-4-(1-methylcyclopropyl)-2,5,8,15,18,21-hexaoxo-6-oxa-3,9,10,16,19,22,24-heptazapentacyclo[20.10.0.09,14.023,31.025,30]dotriaconta-10,25(30),26,28-tetraen-20-yl]-3-hydroxypropanoic acid
Manual Xref Database
17257426 ChemSpider
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