Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000574574 | Gold | 3!CCMSLIB00000574575 |
| CCMSLIB00012132765 | Gold | 4 |
| CCMSLIB00012132764 | Gold | 4 |
| CCMSLIB00009972562 | Gold | 4 |
| CCMSLIB00009972561 | Gold | 4 |
| CCMSLIB00010114674 | Gold | 3 |
| CCMSLIB00010125999 | Gold | 3 |
COMPOUND NPA016129
PROPERTIES
| NPAID | NPA016129 |
|---|---|
| CLUSTER ID | 1662 |
| NODE ID | 1358 |
| NAME | Chromomycin A3 |
| FORMULA | C57H82O26 |
| MOLECULAR WEIGHT (Da) | 1183.2570 |
| ACCURATE MASS (Da) | 1182.5094 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | griseus |
| InChIKey | ZYVSOIYQKUDENJ-MNGCYDFMSA-N |
| InChI | InChI=1S/C57H82O26/c1-21-34(79-40-19-37(53(26(6)75-40)77-28(8)59)82-38-16-33(61)52(70-11)25(5)74-38)15-31-13-30-14-32(54(71-12)51(68)46(63)22(2)58)55(50(67)44(30)49(66)43(31)45(21)62)83-41-18-35(47(64)24(4)73-41)80-39-17-36(48(65)23(3)72-39)81-42-20-57(10,69)56(27(7)76-42)78-29(9)60/h13,15,22-27,32-33,35-42,46-48,52-56,58,61-66,69H,14,16-20H2,1-12H3/t22-,23?,24?,25?,26?,27?,32+,33?,35?,36?,37?,38?,39?,40?,41?,42?,46+,47?,48?,52?,53?,54+,55+,56?,57?/m1/s1 |
| SMILES | CC1C(C(CC(O1)O[C@H]2[C@@H](CC3=C(C2=O)C(=C4C(=C3)C=C(C(=C4O)C)OC5CC(C(C(O5)C)OC(=O)C)OC6CC(C(C(O6)C)OC)O)O)[C@@H](C(=O)[C@H]([C@@H](C)O)O)OC)OC7CC(C(C(O7)C)O)OC8CC(C(C(O8)C)OC(=O)C)(C)O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Miyamoto, M; Kawamatsu, Y; Kawashima, K; Shinohara, M; Nakanishi, K The full structures of three chromomycins, A2, A3 and A4 Tetrahedron Letters 1966 7 (6) 545-552. | ||
|---|---|---|---|
| DOI | 10.1016/s0040-4039(01)99663-7 | PMID | - |
