PCIDB

KNApSAcK Metabolite C00018300

Metabolite

KNApSAcK Entry

id C00018300
Name Cleomycin B2
CAS RN 76741-88-3
Standard InChI InChI=1S/C56H84N20O21S2/c1-20-32(73-45(76-43(20)59)24(12-30(58)79)68-13-23(57)44(60)85)48(88)74-33(39(25-14-64-19-69-25)95-53-41(37(83)35(81)28(15-77)94-53)96-52-38(84)40(97-55(63)91)36(82)29(16-78)93-52)49(89)70-22(3)34(80)21(2)46(86)75-42(56(92)7-8-56)50(90)66-11-6-31-71-27(18-98-31)51-72-26(17-99-51)47(87)65-9-4-5-10-67-54(61)62/h14,17-19,21-24,28-29,33-42,52-53,68,77-78,80-84,92H,4-13,15-16,57H2,1-3H3,(H2,58,79)(H2,60,85)(H2,63,91)(H,64,69)(H,65,87)(H,66,90)(H,70,89)(H,74,88)(H,75,86)(H2,59,73,76)(H4,61,62,67)
Standard InChI (Main Layer) InChI=1S/C56H84N20O21S2/c1-20-32(73-45(76-43(20)59)24(12-30(58)79)68-13-23(57)44(60)85)48(88)74-33(39(25-14-64-19-69-25)95-53-41(37(83)35(81)28(15-77)94-53)96-52-38(84)40(97-55(63)91)36(82)29(16-78)93-52)49(89)70-22(3)34(80)21(2)46(86)75-42(56(92)7-8-56)50(90)66-11-6-31-71-27(18-98-31)51-72-26(17-99-51)47(87)65-9-4-5-10-67-54(61)62/h14,17-19,21-24,28-29,33-42,52-53,68,77-78,80-84,92H,4-13,15-16,57H2,1-3H3,(H2,58,79)(H2,60,85)(H2,63,91)(H,64,69)(H,65,87)(H,66,90)(H,70,89)(H,74,88)(H,75,86)(H2,59,73,76)(H4,61,62,67)

Cluster

Phytochemical cluster
KCF-S cluster No. 634

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB

CTD

By CAS RN C027447

Species

Summary

Plant class

class name count

Family

family name count
Streptomycetaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Streptomyces verticillus NK68-144 (FERM-P 4108) 1883 Streptomycetaceae Bacteria