CHEBI:200967 - RP-1776

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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 RP-1776
ChEBI ID CHEBI:200967
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C75H94N12O20
Net Charge 0
Average Mass 1483.641
Monoisotopic Mass 1482.67073
InChI InChI=1S/C75H94N12O20/c1-10-19-43-20-14-15-21-44(43)29-32-54(88)81-57-42(8)107-75(105)60(61(90)39(4)5)85-65(94)51(34-38(2)3)80-71(100)72(101)86-66(95)52(35-47-36-76-50-25-17-16-24-49(47)50)79-70(99)58(62(91)46-27-30-48(106-9)31-28-46)84-67(96)53-26-18-33-87(53)73(102)59(63(92)45-22-12-11-13-23-45)82-55(89)37-77-68(97)56(40(6)74(103)104)83-64(93)41(7)78-69(57)98/h10-17,19-25,27-32,36,38-42,51-53,56-63,72,76,90-92,101H,18,26,33-35,37H2,1-9H3,(H,77,97)(H,78,98)(H,79,99)(H,80,100)(H,81,88)(H,82,89)(H,83,93)(H,84,96)(H,85,94)(H,86,95)(H,103,104)/b19-10-,32-29+
InChIKey VSYRHTLTZHXGJQ-JRZMZIPPSA-N
SMILES O=C1OC(C(NC(=O)/C=C/C2=C(C=CC=C2)/C=C\C)C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)N3CCCC3C(NC(C(NC(C(NC(C(NC(C(NC1C(O)C(C)C)=O)CC(C)C)=O)O)=O)CC=4C5=C(C=CC=C5)NC4)=O)C(O)C6=CC=C(OC)C=C6)=O)C(O)C7=CC=CC=C7)C(C(=O)O)C)C)C
Metabolite of Species Details
Streptomyces (NCBI:txid1883) 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 RP-1776 (CHEBI:200967) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
2-[25-hydroxy-31-[hydroxy-(4-methoxyphenyl)methyl]-19-(1-hydroxy-2-methylpropyl)-3-[hydroxy(phenyl)methyl]-28-(1H-indol-3-ylmethyl)-12,16-dimethyl-22-(2-methylpropyl)-2,5,8,11,14,18,21,24,27,30,33-undecaoxo-15-[[(E)-3-[2-[(Z)-prop-1-enyl]phenyl]prop-2-enoyl]amino]-17-oxa-1,4,7,10,13,20,23,26,29,32-decazabicyclo[32.3.0]heptatriacontan-9-yl]propanoic acid
Manual Xref Database
17326290 ChemSpider
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