CHEBI:204621 - Actinomycin Y1

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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 Actinomycin Y1
ChEBI ID CHEBI:204621
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C61H81ClN12O18
Net Charge 0
Average Mass 1305.840
Monoisotopic Mass 1304.54803
InChI InChI=1S/C61H81ClN12O18/c1-24(2)41-57(85)73-21-32(75)19-34(73)56(84)69(12)22-37(77)71(14)30(10)60(88)91-36(20-62)45(55(83)65-41)68-53(81)39-40(63)49(79)29(9)51-46(39)64-44-33(17-16-27(7)50(44)92-51)52(80)67-43-31(11)90-61(89)47(26(5)6)72(15)38(78)23-70(13)59(87)48-35(76)18-28(8)74(48)58(86)42(25(3)4)66-54(43)82/h16-17,24-26,28,30-31,34-36,41-43,45,47-48,76H,18-23,63H2,1-15H3,(H,65,83)(H,66,82)(H,67,80)(H,68,81)/t28-,30-,31+,34-,35-,36+,41+,42+,43-,45-,47-,48-/m0/s1
InChIKey PDIWXPNEMYRKFX-JIAPYOCPSA-N
SMILES ClC[C@H]1OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@H]2N(C([C@H](NC([C@H]1NC(=O)C3=C(N)C(=O)C(C)=C4C3=NC5=C(C(=CC=C5C(=O)N[C@@H]6C(=O)N[C@@H](C(=O)N7[C@H](C(=O)N(C)CC(N([C@H](C(O[C@@H]6C)=O)C(C)C)C)=O)[C@@H](O)C[C@@H]7C)C(C)C)C)O4)=O)C(C)C)=O)CC(=O)C2)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 Actinomycin Y1 (CHEBI:204621) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
2-amino-1-N-[(3R,6S,7S,10S,16S)-7-(chloromethyl)-10,11,14-trimethyl-2,5,9,12,15,18-hexaoxo-3-propan-2-yl-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]-9-N-[(3R,6S,7R,10S,16S,17S,19S)-17-hydroxy-7,11,14,19-tetramethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]-4,6-dimethyl-3-oxophenoxazine-1,9-dicarboxamide
Manual Xref Database
28285960 ChemSpider
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