CHEBI:220958 - Actinomycin Z4

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 Z4
ChEBI ID CHEBI:220958
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C62H84N12O17
Net Charge 0
Average Mass 1269.421
Monoisotopic Mass 1268.60774
InChI InChI=1S/C62H84N12O17/c1-25(2)43-59(85)73-29(8)19-21-36(73)57(83)69(14)24-40(77)72(17)49(27(5)6)62(88)90-34(13)45(55(81)65-43)67-53(79)35-20-18-28(7)51-47(35)64-48-41(42(63)50(78)30(9)52(48)91-51)54(80)68-46-33(12)89-61(87)32(11)71(16)39(76)23-70(15)58(84)37-22-38(75)31(10)74(37)60(86)44(26(3)4)66-56(46)82/h18,20,25-27,29,31-34,36-37,43-46,49H,19,21-24,63H2,1-17H3,(H,65,81)(H,66,82)(H,67,79)(H,68,80)/t29?,31?,32-,33?,34?,36-,37-,43+,44+,45-,46-,49-/m0/s1
InChIKey UEEVFDRZQAFDKU-HPVLVMQISA-N
SMILES O=C1OC([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(OC5C)=O)C)C)=O)CC(C6C)=O)C(C)C)N)C)OC3=C(C)C=C2)C(=O)N[C@@H](C(=O)N7C(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 fradiae (NCBI:txid1906) 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 Z4 (CHEBI:220958) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
2-amino-4,6-dimethyl-3-oxo-1-N-[(3R,6S,10S,16S)-7,10,11,14,19-pentamethyl-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,10S,16S)-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
78445441 ChemSpider
View more database links