Molecule

Mycinamicin VIII

AlkaPlorer ID: AK034509

Synonym: 'Mycinamicin VIII', 'Mycinomycin VIII'

IUPAC Name: (3E,5S,6S,7S,9R,11E,13E,15S,16R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-16-ethyl-5,7,9,15-tetramethyl-1-oxacyclohexadeca-3,11,13-triene-2,10-dione

Structure

SMILES: CC[C@H]1OC(=O)/C=C/[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@H](C)C[C@@H](C)C(=O)/C=C/C=C/[C@@H]1C

InChI: InChI=1S/C29H47NO6/c1-9-25-18(2)12-10-11-13-24(31)20(4)16-21(5)28(19(3)14-15-26(32)35-25)36-29-27(33)23(30(7)8)17-22(6)34-29/h10-15,18-23,25,27-29,33H,9,16-17H2,1-8H3/b12-10+,13-11+,15-14+/t18-,19-,20+,21-,22+,23-,25+,27+,28+,29-/m0/s1

InChIKey: XUBWLMQSFCTODE-UCOIGXIWSA-N

Reference

Mycinamicins, new macrolide antibiotics. XI. Isolation and structure elucidation of a key intermediate in the biosynthesis of the mycinamicins, mycinamicin VIII.

PubChem CID: 15056855

LOTUS: LTS0036789

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Micromonospora griseorubida	Micromonospora	Micromonosporaceae	Micromonosporales	Actinomycetes	Actinomycetota	None	Bacteria

Properties Information

Molecule Weight: 505.6960000000002

TPSA？: 85.30000000000001

MolLogP？: 4.305200000000004

Number of H-Donors: 1

Number of H-Acceptors: 7

RingCount: 2

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi

Metabolism Information

AKRT ID	Reaction	Reaction Link ID
AKRT010237	CC[C@H]1OC(=O)/C=C/[C@H](C)[C@@H](O)[C@@H](C)C[C@@H](C)C(=O)/C=C/C=C/[C@@H]1C.Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](C)C[C@H](N(C)C)[C@H]3O)O2)c(=O)[nH]c1=O>>CC[C@H]1OC(=O)/C=C/[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@H](C)C[C@@H](C)C(=O)/C=C/C=C/[C@@H]1C	RXN-15054
AKRT010238	CC[C@H]1OC(=O)/C=C/[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@H](C)C[C@@H](C)C(=O)/C=C/C=C/[C@@H]1C>>CC[C@H]1OC(=O)/C=C/[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@H](C)C[C@@H](C)C(=O)/C=C/C=C/[C@@H]1CO	RXN-15053