Ramoplanin A3
AlkaPlorer ID: AK016342
Synonym: None
IUPAC Name: (2S)-N-[(3S,6R,9S,15S,18R,21S,24R,27S,30S,33R,36S,39R,42R,45R,48S,49S)-24,42-bis(3-aminopropyl)-27-benzyl-3-(3-chloro-4-hydroxyphenyl)-21-[4-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyphenyl]-5,8,11,14,17,20,23,26,29,32,35,38,41,44,47-pentadecahydroxy-49-(C-hydroxycarbonimidoyl)-18,39-bis[(1R)-1-hydroxyethyl]-30-[(1S)-1-hydroxyethyl]-15,33,36,45-tetrakis(4-hydroxyphenyl)-6-methyl-9-(2-methylpropyl)-2-oxo-1-oxa-4,7,10,13,16,19,22,25,28,31,34,37,40,43,46-pentadecazacyclononatetraconta-4,7,10,13,16,19,22,25,28,31,34,37,40,43,46-pentadecaen-48-yl]-2-[[(2Z,4E)-1-hydroxy-8-methylnona-2,4-dienylidene]amino]butanediimidic acid
Structure
SMILES: CC(C)CC/C=C/C=C\C(O)=N[C@@H](CC(=N)O)C(O)=N[C@@H]1C(O)=N[C@H](C2=CC=C(O)C=C2)C(O)=N[C@H](CCCN)C(O)=N[C@H]([C@@H](C)O)C(O)=N[C@@H](C2=CC=C(O)C=C2)C(O)=N[C@H](C2=CC=C(O)C=C2)C(O)=N[C@@H]([C@H](C)O)C(O)=N[C@@H](CC2=CC=CC=C2)C(O)=N[C@H](CCCN)C(O)=N[C@@H](C2=CC=C(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)C=C2)C(O)=N[C@H]([C@@H](C)O)C(O)=N[C@@H](C2=CC=C(O)C=C2)C(O)=NCC(O)=N[C@@H](CC(C)C)C(O)=N[C@H](C)C(O)=N[C@@H](C2=CC=C(O)C(Cl)=C2)C(=O)O[C@@H]1C(=N)O
InChI: InChI=1S/C120H156ClN21O40/c1-55(2)18-12-9-10-15-23-83(154)128-78(51-82(124)153)108(167)142-94-100(102(125)161)181-118(177)93(67-34-45-79(152)73(121)50-67)141-103(162)57(5)127-106(165)76(48-56(3)4)129-84(155)52-126-109(168)88(62-24-35-68(148)36-25-62)137-112(171)87(60(8)147)135-114(173)90(66-32-43-72(44-33-66)178-120-101(98(159)96(157)81(54-144)180-120)182-119-99(160)97(158)95(156)80(53-143)179-119)136-105(164)74(21-16-46-122)130-107(166)77(49-61-19-13-11-14-20-61)132-110(169)85(58(6)145)134-115(174)91(64-28-39-70(150)40-29-64)139-116(175)92(65-30-41-71(151)42-31-65)138-111(170)86(59(7)146)133-104(163)75(22-17-47-123)131-113(172)89(140-117(94)176)63-26-37-69(149)38-27-63/h9-11,13-15,19-20,23-45,50,55-60,74-78,80-81,85-101,119-120,143-152,156-160H,12,16-18,21-22,46-49,51-54,122-123H2,1-8H3,(H2,124,153)(H2,125,161)(H,126,168)(H,127,165)(H,128,154)(H,129,155)(H,130,166)(H,131,172)(H,132,169)(H,133,163)(H,134,174)(H,135,173)(H,136,164)(H,137,171)(H,138,170)(H,139,175)(H,140,176)(H,141,162)(H,142,167)/b10-9+,23-15-/t57-,58+,59-,60-,74-,75-,76+,77+,78+,80-,81-,85+,86-,87-,88+,89-,90+,91-,92+,93+,94+,95-,96-,97+,98+,99+,100+,101+,119-,120+/m1/s1
InChIKey: CFIGZBIRUKWIED-ISYBQQJVSA-N
Reference
Ramoplanin (A-16686), a new glycolipodepsipeptide antibiotic. III. Structure elucidation.
PubChem CID: 163191966
LOTUS: LTS0029199
{NPAtlas: NPA028648
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Actinoplanes sp. | Actinoplanes | Micromonosporaceae | Micromonosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 2568.127999999996
TPSA？: 1060.9000000000008
MolLogP？: 9.42854000000002
Number of H-Donors: 38
Number of H-Acceptors: 42
RingCount: 10
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|