CHEBI:206031 - Actinomycin Y8

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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 Y8
ChEBI ID CHEBI:206031
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C61H82N12O18
Net Charge 0
Average Mass 1271.393
Monoisotopic Mass 1270.58700
InChI InChI=1S/C61H82N12O18/c1-24(2)41-57(84)72-21-33(74)20-35(72)56(83)68(13)22-37(76)70(15)30(10)60(87)89-31(11)44(55(82)64-41)67-53(80)39-40(62)49(78)29(9)51-46(39)63-45-34(18-17-27(7)50(45)91-51)52(79)66-43-32(12)90-61(88)47(26(5)6)71(16)38(77)23-69(14)59(86)48-36(75)19-28(8)73(48)58(85)42(25(3)4)65-54(43)81/h17-18,24-26,28,30-32,35-36,41-44,47-48,75H,19-23,62H2,1-16H3,(H,64,82)(H,65,81)(H,66,79)(H,67,80)/t28-,30-,31+,32+,35-,36-,41+,42+,43-,44-,47-,48-/m0/s1
InChIKey XATRISMANZEMDH-GIYVJPTOSA-N
SMILES O=C1O[C@@H]([C@H](NC(=O)C2=C3N=C4C(=C(C(=O)C(=C4C(=O)N[C@@H]5C(=O)N[C@@H](C(=O)N6[C@H](C(=O)N(C)CC(N([C@H](C(O[C@@H]5C)=O)C)C)=O)CC(C6)=O)C(C)C)N)C)OC3=C(C)C=C2)C(=O)N[C@@H](C(=O)N7[C@@H](C)C[C@@H]([C@H]7C(N(CC(N([C@H]1C(C)C)C)=O)C)=O)O)C(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 Y8 (CHEBI:206031) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
2-amino-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-oxo-1-N-[(3R,6S,7R,10S,16S)-7,10,11,14-tetramethyl-2,5,9,12,15,18-hexaoxo-3-propan-2-yl-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]phenoxazine-1,9-dicarboxamide
Manual Xref Database
76789493 ChemSpider
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