CHEBI:206019 - Actinomycin Y6

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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 Y6
ChEBI ID CHEBI:206019
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C61H80N12O18
Net Charge 0
Average Mass 1269.377
Monoisotopic Mass 1268.57135
InChI InChI=1S/C61H80N12O18/c1-24(2)40-57(84)72-20-32(74)19-35(72)56(83)68(12)21-37(76)70(14)30(10)52(79)67-44(55(82)64-40)34-23-89-60(87)39-45(62-34)49(78)29(9)51-46(39)63-43-33(17-16-27(7)50(43)91-51)53(80)66-42-31(11)90-61(88)47(26(5)6)71(15)38(77)22-69(13)59(86)48-36(75)18-28(8)73(48)58(85)41(25(3)4)65-54(42)81/h16-17,24-26,28,30-31,34-36,40-42,44,47-48,62,75H,18-23H2,1-15H3,(H,64,82)(H,65,81)(H,66,80)(H,67,79)/t28-,30-,31+,34-,35-,36-,40+,41+,42-,44-,47-,48-/m0/s1
InChIKey KLFMLKUJSQSQEM-SDCBHFABSA-N
SMILES O=C1O[C@@H]([C@H](NC(=O)C2=C3N=C4C(=C(C(=O)C5=C4C(=O)OC[C@H](N5)[C@@H]6NC(=O)[C@@H](N(C(=O)CN(C)C([C@H]7N(C([C@H](NC6=O)C(C)C)=O)CC(=O)C7)=O)C)C)C)OC3=C(C)C=C2)C(=O)N[C@@H](C(=O)N8[C@@H](C)C[C@@H]([C@H]8C(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 Y6 (CHEBI:206019) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
(4R)-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]-7,9-dimethyl-1,6-dioxo-4-[(3R,6S,9S,15S)-9,10,13-trimethyl-2,5,8,11,14,17-hexaoxo-3-propan-2-yl-1,4,7,10,13-pentazabicyclo[13.3.0]octadecan-6-yl]-4,5-dihydro-3H-[1,4]oxazepino[6,5-a]phenoxazine-12-carboxamide
Manual Xref Database
76791867 ChemSpider
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