CHEBI:206013 - Actinomycin Zp

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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 Zp
ChEBI ID CHEBI:206013
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C64H90N12O16
Net Charge 0
Average Mass 1283.492
Monoisotopic Mass 1282.65977
InChI InChI=1S/C64H90N12O16/c1-27(2)44-61(86)75-32(10)20-23-38(75)59(84)71(15)25-40(77)73(17)50(29(5)6)63(88)90-35(13)46(57(82)67-44)69-55(80)37-22-19-31(9)53-48(37)66-49-42(43(65)52(79)34(12)54(49)92-53)56(81)70-47-36(14)91-64(89)51(30(7)8)74(18)41(78)26-72(16)60(85)39-24-21-33(11)76(39)62(87)45(28(3)4)68-58(47)83/h19,22,27-30,32-33,35-36,38-39,44-47,50-51H,20-21,23-26,65H2,1-18H3,(H,67,82)(H,68,83)(H,69,80)(H,70,81)/t32-,33-,35+,36+,38-,39-,44+,45+,46-,47-,50-,51-/m0/s1
InChIKey ITWSHIDIEVXQRA-BSBLWUGNSA-N
SMILES O=C1O[C@@H]([C@H](NC(=O)C2=C(N)C(=O)C(C)=C3C2=NC4=C(C(=CC=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)C)C)=O)CC[C@@H]6C)C(C)C)C)O3)C(=O)N[C@@H](C(=O)N7[C@@H](C)CC[C@H]7C(N(CC(N([C@H]1C(C)C)C)=O)C)=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 Zp (CHEBI:206013) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
2-amino-4,6-dimethyl-3-oxo-1-N,9-N-bis[(3R,6S,7R,10S,16S,19S)-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]phenoxazine-1,9-dicarboxamide
Manual Xref Database
76789541 ChemSpider
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